USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 85:sc= 1.6 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.12 X(o=2.7,f=2.6) USER MOD Set 2.1: A 59 GLN : amide:sc= 0.583 K(o=0.17,f=-1.9) USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.411 X(o=0.17,f=0.4) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00767) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-2.4!) USER MOD Single : A 12 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 16 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.117 USER MOD Single : A 35 ASN : amide:sc= 0.894 K(o=0.89,f=-0.0037) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -40:sc= 1.22 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.5) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 58 HIS : no HE2:sc= 0.84 K(o=0.84,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.046) USER MOD Single : A 80 CYS SG : rot 109:sc= 0.0609 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -21:sc= 1.07 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= -0.634 X(o=-0.63,f=-1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -121:sc= 1.96 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.703 -22.547 -11.447 1.00 1.00 N ATOM 2 CA MET A 1 2.310 -21.663 -10.427 1.00 1.00 C ATOM 3 C MET A 1 3.532 -20.996 -10.955 1.00 1.00 C ATOM 4 O MET A 1 4.575 -21.617 -11.154 1.00 1.00 O ATOM 5 CB MET A 1 2.597 -22.474 -9.151 1.00 1.00 C ATOM 6 CG MET A 1 3.094 -21.663 -7.954 1.00 1.00 C ATOM 7 SD MET A 1 1.967 -20.327 -7.453 1.00 1.00 S ATOM 8 CE MET A 1 2.895 -19.896 -5.952 1.00 1.00 C ATOM 0 H1 MET A 1 0.853 -22.999 -11.053 1.00 1.00 H new ATOM 0 H2 MET A 1 1.441 -21.985 -12.282 1.00 1.00 H new ATOM 0 H3 MET A 1 2.388 -23.279 -11.724 1.00 1.00 H new ATOM 0 HA MET A 1 1.608 -20.868 -10.175 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.685 -22.996 -8.861 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.340 -23.236 -9.385 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.244 -22.335 -7.109 1.00 1.00 H new ATOM 0 HG3 MET A 1 4.066 -21.234 -8.196 1.00 1.00 H new ATOM 0 HE1 MET A 1 2.427 -19.039 -5.468 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.894 -20.744 -5.267 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.922 -19.646 -6.218 1.00 1.00 H new ATOM 17 N ASN A 2 3.450 -19.680 -11.221 1.00 1.00 N ATOM 18 CA ASN A 2 4.474 -18.928 -11.879 1.00 1.00 C ATOM 19 C ASN A 2 5.139 -17.989 -10.935 1.00 1.00 C ATOM 20 O ASN A 2 4.913 -16.780 -10.956 1.00 1.00 O ATOM 21 CB ASN A 2 3.893 -18.131 -13.060 1.00 1.00 C ATOM 22 CG ASN A 2 3.247 -19.053 -14.084 1.00 1.00 C ATOM 23 OD1 ASN A 2 3.822 -20.052 -14.512 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.015 -18.693 -14.535 1.00 1.00 N ATOM 0 H ASN A 2 2.638 -19.117 -10.968 1.00 1.00 H new ATOM 0 HA ASN A 2 5.211 -19.639 -12.252 1.00 1.00 H new ATOM 0 HB2 ASN A 2 3.155 -17.418 -12.692 1.00 1.00 H new ATOM 0 HB3 ASN A 2 4.685 -17.553 -13.536 1.00 1.00 H new ATOM 0 HD21 ASN A 2 1.547 -19.257 -15.245 1.00 1.00 H new ATOM 0 HD22 ASN A 2 1.559 -17.859 -14.164 1.00 1.00 H new ATOM 31 N ASP A 3 6.018 -18.518 -10.065 1.00 1.00 N ATOM 32 CA ASP A 3 6.629 -17.801 -8.991 1.00 1.00 C ATOM 33 C ASP A 3 7.594 -16.755 -9.430 1.00 1.00 C ATOM 34 O ASP A 3 7.594 -15.637 -8.916 1.00 1.00 O ATOM 35 CB ASP A 3 7.260 -18.818 -8.025 1.00 1.00 C ATOM 36 CG ASP A 3 7.531 -18.187 -6.666 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.594 -18.095 -5.828 1.00 1.00 O ATOM 38 OD2 ASP A 3 8.690 -17.758 -6.423 1.00 1.00 O ATOM 0 H ASP A 3 6.316 -19.492 -10.114 1.00 1.00 H new ATOM 0 HA ASP A 3 5.853 -17.234 -8.476 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.594 -19.673 -7.906 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.192 -19.195 -8.447 1.00 1.00 H new ATOM 43 N SER A 4 8.443 -17.045 -10.433 1.00 1.00 N ATOM 44 CA SER A 4 9.354 -16.100 -10.999 1.00 1.00 C ATOM 45 C SER A 4 8.666 -14.964 -11.674 1.00 1.00 C ATOM 46 O SER A 4 9.040 -13.811 -11.467 1.00 1.00 O ATOM 47 CB SER A 4 10.344 -16.748 -11.981 1.00 1.00 C ATOM 48 OG SER A 4 11.381 -15.861 -12.371 1.00 1.00 O ATOM 0 H SER A 4 8.497 -17.968 -10.864 1.00 1.00 H new ATOM 0 HA SER A 4 9.911 -15.709 -10.148 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.782 -17.633 -11.520 1.00 1.00 H new ATOM 0 HB3 SER A 4 9.805 -17.084 -12.867 1.00 1.00 H new ATOM 0 HG SER A 4 11.985 -16.317 -12.993 1.00 1.00 H new ATOM 54 N GLU A 5 7.608 -15.230 -12.462 1.00 1.00 N ATOM 55 CA GLU A 5 6.762 -14.242 -13.057 1.00 1.00 C ATOM 56 C GLU A 5 6.178 -13.296 -12.065 1.00 1.00 C ATOM 57 O GLU A 5 6.411 -12.091 -12.139 1.00 1.00 O ATOM 58 CB GLU A 5 5.604 -14.876 -13.845 1.00 1.00 C ATOM 59 CG GLU A 5 6.021 -15.650 -15.096 1.00 1.00 C ATOM 60 CD GLU A 5 6.297 -14.723 -16.272 1.00 1.00 C ATOM 61 OE1 GLU A 5 7.461 -14.266 -16.431 1.00 1.00 O ATOM 62 OE2 GLU A 5 5.343 -14.444 -17.046 1.00 1.00 O ATOM 0 H GLU A 5 7.329 -16.183 -12.696 1.00 1.00 H new ATOM 0 HA GLU A 5 7.417 -13.688 -13.730 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.060 -15.550 -13.183 1.00 1.00 H new ATOM 0 HB3 GLU A 5 4.910 -14.088 -14.138 1.00 1.00 H new ATOM 0 HG2 GLU A 5 6.914 -16.237 -14.879 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.234 -16.355 -15.366 1.00 1.00 H new ATOM 69 N PHE A 6 5.431 -13.806 -11.069 1.00 1.00 N ATOM 70 CA PHE A 6 4.925 -13.053 -9.963 1.00 1.00 C ATOM 71 C PHE A 6 5.945 -12.229 -9.254 1.00 1.00 C ATOM 72 O PHE A 6 5.800 -11.011 -9.157 1.00 1.00 O ATOM 73 CB PHE A 6 4.228 -14.031 -9.003 1.00 1.00 C ATOM 74 CG PHE A 6 3.544 -13.348 -7.871 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.618 -12.360 -8.108 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.841 -13.697 -6.574 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.986 -11.733 -7.060 1.00 1.00 C ATOM 78 CE2 PHE A 6 3.197 -13.090 -5.521 1.00 1.00 C ATOM 79 CZ PHE A 6 2.258 -12.116 -5.768 1.00 1.00 C ATOM 0 H PHE A 6 5.167 -14.791 -11.033 1.00 1.00 H new ATOM 0 HA PHE A 6 4.221 -12.319 -10.356 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.498 -14.619 -9.559 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.965 -14.729 -8.607 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.386 -12.075 -9.123 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.586 -14.454 -6.381 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.277 -10.941 -7.252 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.428 -13.377 -4.506 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.734 -11.651 -4.946 1.00 1.00 H new ATOM 89 N HIS A 7 7.026 -12.835 -8.735 1.00 1.00 N ATOM 90 CA HIS A 7 8.002 -12.131 -7.962 1.00 1.00 C ATOM 91 C HIS A 7 8.775 -11.087 -8.691 1.00 1.00 C ATOM 92 O HIS A 7 8.995 -10.015 -8.129 1.00 1.00 O ATOM 93 CB HIS A 7 8.928 -13.071 -7.173 1.00 1.00 C ATOM 94 CG HIS A 7 8.168 -13.757 -6.075 1.00 1.00 C ATOM 95 ND1 HIS A 7 8.013 -15.114 -5.974 1.00 1.00 N ATOM 96 CD2 HIS A 7 7.458 -13.211 -5.053 1.00 1.00 C ATOM 97 CE1 HIS A 7 7.230 -15.387 -4.945 1.00 1.00 C ATOM 98 NE2 HIS A 7 6.886 -14.251 -4.367 1.00 1.00 N ATOM 0 H HIS A 7 7.227 -13.828 -8.853 1.00 1.00 H new ATOM 0 HA HIS A 7 7.395 -11.574 -7.248 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.359 -13.814 -7.844 1.00 1.00 H new ATOM 0 HB3 HIS A 7 9.757 -12.504 -6.750 1.00 1.00 H new ATOM 0 HD1 HIS A 7 8.435 -15.805 -6.595 1.00 1.00 H new ATOM 0 HD2 HIS A 7 7.363 -12.160 -4.825 1.00 1.00 H new ATOM 0 HE1 HIS A 7 6.923 -16.373 -4.630 1.00 1.00 H new ATOM 106 N ARG A 8 9.171 -11.299 -9.958 1.00 1.00 N ATOM 107 CA ARG A 8 9.770 -10.282 -10.766 1.00 1.00 C ATOM 108 C ARG A 8 8.860 -9.130 -11.020 1.00 1.00 C ATOM 109 O ARG A 8 9.209 -7.984 -10.738 1.00 1.00 O ATOM 110 CB ARG A 8 10.291 -10.810 -12.114 1.00 1.00 C ATOM 111 CG ARG A 8 11.732 -11.320 -12.046 1.00 1.00 C ATOM 112 CD ARG A 8 12.297 -11.765 -13.396 1.00 1.00 C ATOM 113 NE ARG A 8 13.779 -11.847 -13.264 1.00 1.00 N ATOM 114 CZ ARG A 8 14.636 -10.836 -13.595 1.00 1.00 C ATOM 115 NH1 ARG A 8 14.226 -9.684 -14.200 1.00 1.00 N ATOM 116 NH2 ARG A 8 15.966 -10.968 -13.312 1.00 1.00 N ATOM 0 H ARG A 8 9.073 -12.197 -10.432 1.00 1.00 H new ATOM 0 HA ARG A 8 10.618 -9.937 -10.175 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.643 -11.617 -12.456 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.229 -10.015 -12.857 1.00 1.00 H new ATOM 0 HG2 ARG A 8 12.367 -10.533 -11.639 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.778 -12.158 -11.350 1.00 1.00 H new ATOM 0 HD2 ARG A 8 11.885 -12.732 -13.683 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.022 -11.057 -14.178 1.00 1.00 H new ATOM 0 HE ARG A 8 14.179 -12.713 -12.904 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.240 -9.549 -14.425 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.905 -8.958 -14.427 1.00 1.00 H new ATOM 0 HH21 ARG A 8 16.309 -11.815 -12.858 1.00 1.00 H new ATOM 0 HH22 ARG A 8 16.616 -10.220 -13.554 1.00 1.00 H new ATOM 130 N LEU A 9 7.640 -9.371 -11.531 1.00 1.00 N ATOM 131 CA LEU A 9 6.710 -8.330 -11.840 1.00 1.00 C ATOM 132 C LEU A 9 6.291 -7.533 -10.652 1.00 1.00 C ATOM 133 O LEU A 9 6.268 -6.306 -10.714 1.00 1.00 O ATOM 134 CB LEU A 9 5.477 -8.909 -12.553 1.00 1.00 C ATOM 135 CG LEU A 9 5.750 -9.495 -13.949 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.495 -10.205 -14.481 1.00 1.00 C ATOM 137 CD2 LEU A 9 6.215 -8.430 -14.956 1.00 1.00 C ATOM 0 H LEU A 9 7.292 -10.308 -11.734 1.00 1.00 H new ATOM 0 HA LEU A 9 7.233 -7.641 -12.504 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.046 -9.689 -11.926 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.727 -8.124 -12.645 1.00 1.00 H new ATOM 0 HG LEU A 9 6.562 -10.213 -13.839 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.701 -10.616 -15.470 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.219 -11.013 -13.803 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.674 -9.491 -14.548 1.00 1.00 H new ATOM 0 HD21 LEU A 9 6.393 -8.898 -15.924 1.00 1.00 H new ATOM 0 HD22 LEU A 9 5.445 -7.666 -15.059 1.00 1.00 H new ATOM 0 HD23 LEU A 9 7.137 -7.971 -14.600 1.00 1.00 H new ATOM 149 N ALA A 10 6.009 -8.183 -9.510 1.00 1.00 N ATOM 150 CA ALA A 10 5.696 -7.544 -8.269 1.00 1.00 C ATOM 151 C ALA A 10 6.796 -6.708 -7.712 1.00 1.00 C ATOM 152 O ALA A 10 6.541 -5.631 -7.175 1.00 1.00 O ATOM 153 CB ALA A 10 5.232 -8.587 -7.236 1.00 1.00 C ATOM 0 H ALA A 10 5.999 -9.201 -9.448 1.00 1.00 H new ATOM 0 HA ALA A 10 4.886 -6.849 -8.488 1.00 1.00 H new ATOM 0 HB1 ALA A 10 4.997 -8.088 -6.296 1.00 1.00 H new ATOM 0 HB2 ALA A 10 4.344 -9.097 -7.608 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.027 -9.315 -7.072 1.00 1.00 H new ATOM 159 N ASP A 11 8.070 -7.113 -7.862 1.00 1.00 N ATOM 160 CA ASP A 11 9.198 -6.314 -7.499 1.00 1.00 C ATOM 161 C ASP A 11 9.245 -5.041 -8.272 1.00 1.00 C ATOM 162 O ASP A 11 9.407 -3.956 -7.715 1.00 1.00 O ATOM 163 CB ASP A 11 10.505 -7.101 -7.696 1.00 1.00 C ATOM 164 CG ASP A 11 11.637 -6.528 -6.856 1.00 1.00 C ATOM 165 OD1 ASP A 11 11.518 -6.578 -5.602 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.650 -6.038 -7.424 1.00 1.00 O ATOM 0 H ASP A 11 8.322 -8.023 -8.247 1.00 1.00 H new ATOM 0 HA ASP A 11 9.090 -6.061 -6.444 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.345 -8.145 -7.428 1.00 1.00 H new ATOM 0 HB3 ASP A 11 10.787 -7.082 -8.749 1.00 1.00 H new ATOM 171 N GLN A 12 9.021 -5.124 -9.595 1.00 1.00 N ATOM 172 CA GLN A 12 8.904 -3.987 -10.453 1.00 1.00 C ATOM 173 C GLN A 12 7.840 -3.016 -10.071 1.00 1.00 C ATOM 174 O GLN A 12 8.077 -1.810 -10.106 1.00 1.00 O ATOM 175 CB GLN A 12 8.744 -4.384 -11.931 1.00 1.00 C ATOM 176 CG GLN A 12 9.902 -5.201 -12.508 1.00 1.00 C ATOM 177 CD GLN A 12 11.218 -4.440 -12.577 1.00 1.00 C ATOM 178 OE1 GLN A 12 12.216 -4.799 -11.955 1.00 1.00 O ATOM 179 NE2 GLN A 12 11.247 -3.357 -13.401 1.00 1.00 N ATOM 0 H GLN A 12 8.918 -6.013 -10.084 1.00 1.00 H new ATOM 0 HA GLN A 12 9.853 -3.469 -10.319 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.824 -4.958 -12.040 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.627 -3.478 -12.525 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.042 -6.095 -11.900 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.634 -5.536 -13.510 1.00 1.00 H new ATOM 0 HE21 GLN A 12 10.406 -3.078 -13.907 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.110 -2.824 -13.513 1.00 1.00 H new ATOM 188 N LEU A 13 6.652 -3.462 -9.623 1.00 1.00 N ATOM 189 CA LEU A 13 5.636 -2.622 -9.069 1.00 1.00 C ATOM 190 C LEU A 13 6.092 -1.879 -7.858 1.00 1.00 C ATOM 191 O LEU A 13 6.009 -0.652 -7.819 1.00 1.00 O ATOM 192 CB LEU A 13 4.388 -3.416 -8.651 1.00 1.00 C ATOM 193 CG LEU A 13 3.810 -4.388 -9.694 1.00 1.00 C ATOM 194 CD1 LEU A 13 2.497 -5.008 -9.187 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.601 -3.752 -11.078 1.00 1.00 C ATOM 0 H LEU A 13 6.389 -4.447 -9.648 1.00 1.00 H new ATOM 0 HA LEU A 13 5.401 -1.923 -9.872 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.630 -3.984 -7.753 1.00 1.00 H new ATOM 0 HB3 LEU A 13 3.608 -2.706 -8.378 1.00 1.00 H new ATOM 0 HG LEU A 13 4.558 -5.170 -9.825 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.104 -5.692 -9.939 1.00 1.00 H new ATOM 0 HD12 LEU A 13 2.685 -5.554 -8.262 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.770 -4.218 -9.000 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.191 -4.495 -11.762 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.907 -2.916 -10.993 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.556 -3.393 -11.462 1.00 1.00 H new ATOM 207 N TRP A 14 6.643 -2.600 -6.867 1.00 1.00 N ATOM 208 CA TRP A 14 7.244 -2.100 -5.670 1.00 1.00 C ATOM 209 C TRP A 14 8.122 -0.911 -5.874 1.00 1.00 C ATOM 210 O TRP A 14 7.893 0.166 -5.326 1.00 1.00 O ATOM 211 CB TRP A 14 7.996 -3.261 -4.997 1.00 1.00 C ATOM 212 CG TRP A 14 7.513 -3.666 -3.625 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.117 -3.412 -2.428 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.309 -4.394 -3.317 1.00 1.00 C ATOM 215 NE1 TRP A 14 7.353 -3.889 -1.395 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.234 -4.490 -1.923 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.328 -4.920 -4.113 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.165 -5.094 -1.322 1.00 1.00 C ATOM 219 CZ3 TRP A 14 4.260 -5.528 -3.497 1.00 1.00 C ATOM 220 CH2 TRP A 14 4.177 -5.609 -2.127 1.00 1.00 C ATOM 0 H TRP A 14 6.670 -3.619 -6.908 1.00 1.00 H new ATOM 0 HA TRP A 14 6.450 -1.728 -5.022 1.00 1.00 H new ATOM 0 HB2 TRP A 14 7.937 -4.131 -5.651 1.00 1.00 H new ATOM 0 HB3 TRP A 14 9.049 -2.989 -4.922 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.064 -2.906 -2.311 1.00 1.00 H new ATOM 0 HE1 TRP A 14 7.576 -3.811 -0.403 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.391 -4.859 -5.189 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.099 -5.164 -0.246 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.471 -5.950 -4.101 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.320 -6.086 -1.675 1.00 1.00 H new ATOM 231 N LEU A 15 9.131 -1.042 -6.754 1.00 1.00 N ATOM 232 CA LEU A 15 10.019 0.013 -7.128 1.00 1.00 C ATOM 233 C LEU A 15 9.334 1.179 -7.753 1.00 1.00 C ATOM 234 O LEU A 15 9.575 2.332 -7.399 1.00 1.00 O ATOM 235 CB LEU A 15 11.070 -0.415 -8.167 1.00 1.00 C ATOM 236 CG LEU A 15 11.857 -1.681 -7.785 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.774 -2.123 -8.937 1.00 1.00 C ATOM 238 CD2 LEU A 15 12.654 -1.506 -6.481 1.00 1.00 C ATOM 0 H LEU A 15 9.336 -1.923 -7.225 1.00 1.00 H new ATOM 0 HA LEU A 15 10.475 0.281 -6.175 1.00 1.00 H new ATOM 0 HB2 LEU A 15 10.572 -0.585 -9.122 1.00 1.00 H new ATOM 0 HB3 LEU A 15 11.773 0.405 -8.315 1.00 1.00 H new ATOM 0 HG LEU A 15 11.125 -2.468 -7.603 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.320 -3.020 -8.644 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.172 -2.337 -9.820 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.481 -1.326 -9.165 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.191 -2.428 -6.256 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.367 -0.690 -6.597 1.00 1.00 H new ATOM 0 HD23 LEU A 15 11.970 -1.277 -5.664 1.00 1.00 H new ATOM 250 N THR A 16 8.466 0.891 -8.740 1.00 1.00 N ATOM 251 CA THR A 16 7.781 1.863 -9.535 1.00 1.00 C ATOM 252 C THR A 16 6.832 2.707 -8.756 1.00 1.00 C ATOM 253 O THR A 16 6.843 3.931 -8.872 1.00 1.00 O ATOM 254 CB THR A 16 7.067 1.295 -10.724 1.00 1.00 C ATOM 255 OG1 THR A 16 7.935 0.464 -11.483 1.00 1.00 O ATOM 256 CG2 THR A 16 6.631 2.414 -11.685 1.00 1.00 C ATOM 0 H THR A 16 8.231 -0.068 -8.996 1.00 1.00 H new ATOM 0 HA THR A 16 8.593 2.492 -9.900 1.00 1.00 H new ATOM 0 HB THR A 16 6.213 0.740 -10.336 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.203 -0.308 -10.943 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.115 1.978 -12.541 1.00 1.00 H new ATOM 0 HG22 THR A 16 5.960 3.098 -11.166 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.509 2.960 -12.030 1.00 1.00 H new ATOM 264 N ILE A 17 6.004 2.103 -7.883 1.00 1.00 N ATOM 265 CA ILE A 17 5.094 2.758 -6.997 1.00 1.00 C ATOM 266 C ILE A 17 5.816 3.676 -6.072 1.00 1.00 C ATOM 267 O ILE A 17 5.487 4.859 -5.976 1.00 1.00 O ATOM 268 CB ILE A 17 4.272 1.791 -6.196 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.362 0.936 -7.094 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.397 2.510 -5.155 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.895 -0.326 -6.370 1.00 1.00 C ATOM 0 H ILE A 17 5.970 1.088 -7.792 1.00 1.00 H new ATOM 0 HA ILE A 17 4.416 3.333 -7.628 1.00 1.00 H new ATOM 0 HB ILE A 17 4.985 1.145 -5.683 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.496 1.523 -7.402 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.899 0.660 -8.001 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.818 1.775 -4.596 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.033 3.068 -4.468 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.719 3.197 -5.662 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.254 -0.909 -7.031 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.761 -0.924 -6.085 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.337 -0.047 -5.476 1.00 1.00 H new ATOM 283 N GLU A 18 6.862 3.172 -5.394 1.00 1.00 N ATOM 284 CA GLU A 18 7.690 3.964 -4.538 1.00 1.00 C ATOM 285 C GLU A 18 8.279 5.145 -5.229 1.00 1.00 C ATOM 286 O GLU A 18 8.131 6.275 -4.768 1.00 1.00 O ATOM 287 CB GLU A 18 8.835 3.155 -3.906 1.00 1.00 C ATOM 288 CG GLU A 18 9.448 3.847 -2.688 1.00 1.00 C ATOM 289 CD GLU A 18 10.944 3.631 -2.496 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.621 3.045 -3.383 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.486 4.105 -1.463 1.00 1.00 O ATOM 0 H GLU A 18 7.139 2.192 -5.441 1.00 1.00 H new ATOM 0 HA GLU A 18 7.015 4.309 -3.755 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.461 2.174 -3.611 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.611 2.989 -4.653 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.260 4.918 -2.767 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.930 3.498 -1.795 1.00 1.00 H new ATOM 298 N GLU A 19 8.919 4.931 -6.393 1.00 1.00 N ATOM 299 CA GLU A 19 9.567 5.938 -7.172 1.00 1.00 C ATOM 300 C GLU A 19 8.683 7.036 -7.656 1.00 1.00 C ATOM 301 O GLU A 19 9.050 8.206 -7.570 1.00 1.00 O ATOM 302 CB GLU A 19 10.294 5.319 -8.378 1.00 1.00 C ATOM 303 CG GLU A 19 11.325 6.256 -9.009 1.00 1.00 C ATOM 304 CD GLU A 19 11.674 5.857 -10.437 1.00 1.00 C ATOM 305 OE1 GLU A 19 12.322 4.798 -10.649 1.00 1.00 O ATOM 306 OE2 GLU A 19 11.322 6.636 -11.363 1.00 1.00 O ATOM 0 H GLU A 19 8.987 4.004 -6.812 1.00 1.00 H new ATOM 0 HA GLU A 19 10.274 6.394 -6.479 1.00 1.00 H new ATOM 0 HB2 GLU A 19 10.792 4.402 -8.062 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.559 5.039 -9.132 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.938 7.275 -9.004 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.231 6.256 -8.403 1.00 1.00 H new ATOM 313 N ARG A 20 7.480 6.747 -8.185 1.00 1.00 N ATOM 314 CA ARG A 20 6.589 7.777 -8.623 1.00 1.00 C ATOM 315 C ARG A 20 6.065 8.594 -7.494 1.00 1.00 C ATOM 316 O ARG A 20 5.997 9.818 -7.598 1.00 1.00 O ATOM 317 CB ARG A 20 5.461 7.290 -9.548 1.00 1.00 C ATOM 318 CG ARG A 20 4.840 8.342 -10.467 1.00 1.00 C ATOM 319 CD ARG A 20 5.764 9.233 -11.301 1.00 1.00 C ATOM 320 NE ARG A 20 5.749 10.574 -10.653 1.00 1.00 N ATOM 321 CZ ARG A 20 6.792 11.454 -10.605 1.00 1.00 C ATOM 322 NH1 ARG A 20 7.937 11.284 -11.328 1.00 1.00 N ATOM 323 NH2 ARG A 20 6.689 12.546 -9.792 1.00 1.00 N ATOM 0 H ARG A 20 7.124 5.799 -8.309 1.00 1.00 H new ATOM 0 HA ARG A 20 7.207 8.428 -9.241 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.850 6.482 -10.167 1.00 1.00 H new ATOM 0 HB3 ARG A 20 4.670 6.866 -8.930 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.171 7.825 -11.155 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.221 8.994 -9.851 1.00 1.00 H new ATOM 0 HD2 ARG A 20 6.775 8.826 -11.329 1.00 1.00 H new ATOM 0 HD3 ARG A 20 5.417 9.296 -12.332 1.00 1.00 H new ATOM 0 HE ARG A 20 4.880 10.861 -10.204 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.040 10.472 -11.937 1.00 1.00 H new ATOM 0 HH12 ARG A 20 8.690 11.969 -11.259 1.00 1.00 H new ATOM 0 HH21 ARG A 20 5.846 12.691 -9.237 1.00 1.00 H new ATOM 0 HH22 ARG A 20 7.455 13.217 -9.740 1.00 1.00 H new ATOM 337 N LEU A 21 5.743 7.986 -6.339 1.00 1.00 N ATOM 338 CA LEU A 21 5.419 8.712 -5.149 1.00 1.00 C ATOM 339 C LEU A 21 6.520 9.566 -4.624 1.00 1.00 C ATOM 340 O LEU A 21 6.364 10.778 -4.496 1.00 1.00 O ATOM 341 CB LEU A 21 4.920 7.751 -4.057 1.00 1.00 C ATOM 342 CG LEU A 21 3.463 7.315 -4.289 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.174 5.960 -3.624 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.451 8.374 -3.820 1.00 1.00 C ATOM 0 H LEU A 21 5.707 6.973 -6.228 1.00 1.00 H new ATOM 0 HA LEU A 21 4.626 9.403 -5.435 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.561 6.870 -4.030 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.002 8.235 -3.084 1.00 1.00 H new ATOM 0 HG LEU A 21 3.340 7.206 -5.367 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.137 5.679 -3.806 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.834 5.201 -4.043 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.346 6.038 -2.550 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.438 8.017 -4.006 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.582 8.555 -2.753 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.615 9.302 -4.368 1.00 1.00 H new ATOM 356 N ASP A 22 7.697 8.985 -4.330 1.00 1.00 N ATOM 357 CA ASP A 22 8.875 9.626 -3.829 1.00 1.00 C ATOM 358 C ASP A 22 9.342 10.795 -4.626 1.00 1.00 C ATOM 359 O ASP A 22 9.772 11.809 -4.077 1.00 1.00 O ATOM 360 CB ASP A 22 9.954 8.535 -3.720 1.00 1.00 C ATOM 361 CG ASP A 22 11.112 8.869 -2.791 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.990 8.630 -1.560 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.189 9.284 -3.294 1.00 1.00 O ATOM 0 H ASP A 22 7.835 7.982 -4.454 1.00 1.00 H new ATOM 0 HA ASP A 22 8.646 10.069 -2.860 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.485 7.614 -3.375 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.351 8.337 -4.715 1.00 1.00 H new ATOM 368 N ASP A 23 9.248 10.742 -5.967 1.00 1.00 N ATOM 369 CA ASP A 23 9.655 11.793 -6.846 1.00 1.00 C ATOM 370 C ASP A 23 8.738 12.966 -6.896 1.00 1.00 C ATOM 371 O ASP A 23 9.020 13.953 -7.574 1.00 1.00 O ATOM 372 CB ASP A 23 9.926 11.203 -8.241 1.00 1.00 C ATOM 373 CG ASP A 23 10.686 12.132 -9.177 1.00 1.00 C ATOM 374 OD1 ASP A 23 11.804 12.585 -8.813 1.00 1.00 O ATOM 375 OD2 ASP A 23 10.198 12.395 -10.308 1.00 1.00 O ATOM 0 H ASP A 23 8.872 9.931 -6.459 1.00 1.00 H new ATOM 0 HA ASP A 23 10.573 12.213 -6.434 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.492 10.278 -8.128 1.00 1.00 H new ATOM 0 HB3 ASP A 23 8.974 10.940 -8.703 1.00 1.00 H new ATOM 380 N TRP A 24 7.613 12.995 -6.160 1.00 1.00 N ATOM 381 CA TRP A 24 6.804 14.172 -6.066 1.00 1.00 C ATOM 382 C TRP A 24 7.406 15.208 -5.182 1.00 1.00 C ATOM 383 O TRP A 24 7.785 14.951 -4.041 1.00 1.00 O ATOM 384 CB TRP A 24 5.385 13.844 -5.572 1.00 1.00 C ATOM 385 CG TRP A 24 4.376 14.965 -5.640 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.888 15.745 -4.631 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.755 15.441 -6.848 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.991 16.655 -5.124 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.900 16.489 -6.486 1.00 1.00 C ATOM 390 CE3 TRP A 24 3.873 15.052 -8.155 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.156 17.144 -7.429 1.00 1.00 C ATOM 392 CZ3 TRP A 24 3.126 15.721 -9.096 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.282 16.747 -8.740 1.00 1.00 C ATOM 0 H TRP A 24 7.261 12.199 -5.627 1.00 1.00 H new ATOM 0 HA TRP A 24 6.748 14.576 -7.077 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.005 13.006 -6.156 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.452 13.507 -4.538 1.00 1.00 H new ATOM 0 HD1 TRP A 24 4.169 15.657 -3.592 1.00 1.00 H new ATOM 0 HE1 TRP A 24 2.476 17.342 -4.573 1.00 1.00 H new ATOM 0 HE3 TRP A 24 4.532 14.245 -8.438 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 1.490 17.948 -7.153 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 3.204 15.435 -10.135 1.00 1.00 H new ATOM 0 HH2 TRP A 24 1.708 17.250 -9.504 1.00 1.00 H new ATOM 404 N ASP A 25 7.500 16.450 -5.688 1.00 1.00 N ATOM 405 CA ASP A 25 7.811 17.621 -4.929 1.00 1.00 C ATOM 406 C ASP A 25 6.630 18.526 -5.030 1.00 1.00 C ATOM 407 O ASP A 25 6.050 18.702 -6.100 1.00 1.00 O ATOM 408 CB ASP A 25 9.049 18.365 -5.461 1.00 1.00 C ATOM 409 CG ASP A 25 10.356 17.779 -4.947 1.00 1.00 C ATOM 410 OD1 ASP A 25 10.374 17.204 -3.826 1.00 1.00 O ATOM 411 OD2 ASP A 25 11.401 17.966 -5.626 1.00 1.00 O ATOM 0 H ASP A 25 7.351 16.647 -6.678 1.00 1.00 H new ATOM 0 HA ASP A 25 8.034 17.326 -3.903 1.00 1.00 H new ATOM 0 HB2 ASP A 25 9.046 18.333 -6.551 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.988 19.414 -5.172 1.00 1.00 H new ATOM 416 N GLY A 26 6.212 19.140 -3.910 1.00 1.00 N ATOM 417 CA GLY A 26 5.103 20.044 -3.931 1.00 1.00 C ATOM 418 C GLY A 26 4.970 20.719 -2.611 1.00 1.00 C ATOM 419 O GLY A 26 5.954 20.936 -1.905 1.00 1.00 O ATOM 0 H GLY A 26 6.639 19.012 -2.993 1.00 1.00 H new ATOM 0 HA2 GLY A 26 5.244 20.787 -4.716 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.187 19.503 -4.166 1.00 1.00 H new ATOM 423 N ASP A 27 3.729 21.066 -2.221 1.00 1.00 N ATOM 424 CA ASP A 27 3.437 21.717 -0.982 1.00 1.00 C ATOM 425 C ASP A 27 3.429 20.736 0.139 1.00 1.00 C ATOM 426 O ASP A 27 3.731 21.050 1.289 1.00 1.00 O ATOM 427 CB ASP A 27 2.074 22.412 -1.135 1.00 1.00 C ATOM 428 CG ASP A 27 2.021 23.737 -0.386 1.00 1.00 C ATOM 429 OD1 ASP A 27 2.856 24.627 -0.698 1.00 1.00 O ATOM 430 OD2 ASP A 27 1.105 23.940 0.456 1.00 1.00 O ATOM 0 H ASP A 27 2.901 20.887 -2.789 1.00 1.00 H new ATOM 0 HA ASP A 27 4.203 22.455 -0.744 1.00 1.00 H new ATOM 0 HB2 ASP A 27 1.872 22.585 -2.192 1.00 1.00 H new ATOM 0 HB3 ASP A 27 1.288 21.754 -0.764 1.00 1.00 H new ATOM 435 N SER A 28 3.085 19.480 -0.195 1.00 1.00 N ATOM 436 CA SER A 28 2.985 18.340 0.662 1.00 1.00 C ATOM 437 C SER A 28 4.273 17.617 0.851 1.00 1.00 C ATOM 438 O SER A 28 5.359 18.125 0.573 1.00 1.00 O ATOM 439 CB SER A 28 1.906 17.378 0.135 1.00 1.00 C ATOM 440 OG SER A 28 2.250 16.854 -1.138 1.00 1.00 O ATOM 0 H SER A 28 2.855 19.242 -1.160 1.00 1.00 H new ATOM 0 HA SER A 28 2.703 18.718 1.645 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.771 16.559 0.842 1.00 1.00 H new ATOM 0 HB3 SER A 28 0.952 17.902 0.068 1.00 1.00 H new ATOM 0 HG SER A 28 1.545 16.246 -1.443 1.00 1.00 H new ATOM 446 N ASP A 29 4.216 16.375 1.365 1.00 1.00 N ATOM 447 CA ASP A 29 5.347 15.517 1.538 1.00 1.00 C ATOM 448 C ASP A 29 4.965 14.109 1.235 1.00 1.00 C ATOM 449 O ASP A 29 3.810 13.834 0.912 1.00 1.00 O ATOM 450 CB ASP A 29 5.845 15.663 2.987 1.00 1.00 C ATOM 451 CG ASP A 29 7.345 15.409 3.033 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.096 16.192 2.393 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.774 14.429 3.698 1.00 1.00 O ATOM 0 H ASP A 29 3.342 15.950 1.674 1.00 1.00 H new ATOM 0 HA ASP A 29 6.149 15.794 0.854 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.622 16.662 3.361 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.325 14.957 3.635 1.00 1.00 H new ATOM 458 N ILE A 30 5.917 13.165 1.329 1.00 1.00 N ATOM 459 CA ILE A 30 5.722 11.793 0.973 1.00 1.00 C ATOM 460 C ILE A 30 6.791 10.940 1.565 1.00 1.00 C ATOM 461 O ILE A 30 7.969 10.997 1.217 1.00 1.00 O ATOM 462 CB ILE A 30 5.606 11.596 -0.508 1.00 1.00 C ATOM 463 CG1 ILE A 30 5.379 10.136 -0.938 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.776 12.216 -1.289 1.00 1.00 C ATOM 465 CD1 ILE A 30 4.090 9.514 -0.403 1.00 1.00 C ATOM 0 H ILE A 30 6.859 13.364 1.666 1.00 1.00 H new ATOM 0 HA ILE A 30 4.767 11.479 1.394 1.00 1.00 H new ATOM 0 HB ILE A 30 4.699 12.140 -0.772 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.366 10.088 -2.027 1.00 1.00 H new ATOM 0 HG13 ILE A 30 6.224 9.535 -0.602 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.635 12.040 -2.356 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.812 13.289 -1.099 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.712 11.759 -0.966 1.00 1.00 H new ATOM 0 HD11 ILE A 30 4.010 8.485 -0.754 1.00 1.00 H new ATOM 0 HD12 ILE A 30 4.105 9.526 0.687 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.234 10.087 -0.760 1.00 1.00 H new ATOM 477 N ASP A 31 6.401 10.058 2.502 1.00 1.00 N ATOM 478 CA ASP A 31 7.212 9.011 3.041 1.00 1.00 C ATOM 479 C ASP A 31 6.543 7.702 2.792 1.00 1.00 C ATOM 480 O ASP A 31 5.568 7.325 3.438 1.00 1.00 O ATOM 481 CB ASP A 31 7.406 9.139 4.561 1.00 1.00 C ATOM 482 CG ASP A 31 8.688 9.897 4.884 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.795 9.365 4.604 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.591 11.007 5.472 1.00 1.00 O ATOM 0 H ASP A 31 5.465 10.077 2.907 1.00 1.00 H new ATOM 0 HA ASP A 31 8.185 9.079 2.555 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.553 9.657 4.998 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.442 8.147 5.012 1.00 1.00 H new ATOM 489 N CYS A 32 7.072 6.894 1.855 1.00 1.00 N ATOM 490 CA CYS A 32 6.709 5.513 1.769 1.00 1.00 C ATOM 491 C CYS A 32 7.587 4.718 2.672 1.00 1.00 C ATOM 492 O CYS A 32 8.776 4.991 2.823 1.00 1.00 O ATOM 493 CB CYS A 32 6.812 5.072 0.299 1.00 1.00 C ATOM 494 SG CYS A 32 5.576 5.894 -0.752 1.00 1.00 S ATOM 0 H CYS A 32 7.751 7.197 1.157 1.00 1.00 H new ATOM 0 HA CYS A 32 5.682 5.349 2.095 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.811 5.294 -0.076 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.680 3.992 0.235 1.00 1.00 H new ATOM 0 HG CYS A 32 5.710 5.487 -1.979 1.00 1.00 H new ATOM 500 N GLU A 33 6.991 3.738 3.373 1.00 1.00 N ATOM 501 CA GLU A 33 7.588 2.969 4.421 1.00 1.00 C ATOM 502 C GLU A 33 7.904 1.590 3.953 1.00 1.00 C ATOM 503 O GLU A 33 7.112 0.988 3.231 1.00 1.00 O ATOM 504 CB GLU A 33 6.622 2.890 5.615 1.00 1.00 C ATOM 505 CG GLU A 33 7.171 3.519 6.898 1.00 1.00 C ATOM 506 CD GLU A 33 8.311 2.698 7.483 1.00 1.00 C ATOM 507 OE1 GLU A 33 9.488 2.917 7.093 1.00 1.00 O ATOM 508 OE2 GLU A 33 8.040 1.837 8.363 1.00 1.00 O ATOM 0 H GLU A 33 6.025 3.464 3.195 1.00 1.00 H new ATOM 0 HA GLU A 33 8.515 3.457 4.722 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.689 3.387 5.349 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.383 1.844 5.808 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.521 4.530 6.687 1.00 1.00 H new ATOM 0 HG3 GLU A 33 6.370 3.606 7.633 1.00 1.00 H new ATOM 515 N ILE A 34 9.062 1.038 4.358 1.00 1.00 N ATOM 516 CA ILE A 34 9.612 -0.186 3.864 1.00 1.00 C ATOM 517 C ILE A 34 9.634 -1.162 4.989 1.00 1.00 C ATOM 518 O ILE A 34 10.424 -1.077 5.929 1.00 1.00 O ATOM 519 CB ILE A 34 11.007 -0.068 3.328 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.324 1.250 2.600 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.302 -1.289 2.439 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.520 1.529 1.332 1.00 1.00 C ATOM 0 H ILE A 34 9.648 1.472 5.072 1.00 1.00 H new ATOM 0 HA ILE A 34 8.983 -0.499 3.031 1.00 1.00 H new ATOM 0 HB ILE A 34 11.671 -0.049 4.192 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.163 2.073 3.296 1.00 1.00 H new ATOM 0 HG13 ILE A 34 12.383 1.253 2.342 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.315 -1.214 2.043 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.210 -2.200 3.030 1.00 1.00 H new ATOM 0 HG23 ILE A 34 10.591 -1.318 1.613 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.830 2.484 0.907 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.697 0.735 0.607 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.458 1.568 1.576 1.00 1.00 H new ATOM 534 N ASN A 35 8.728 -2.156 4.947 1.00 1.00 N ATOM 535 CA ASN A 35 8.661 -3.221 5.898 1.00 1.00 C ATOM 536 C ASN A 35 8.640 -4.540 5.208 1.00 1.00 C ATOM 537 O ASN A 35 8.734 -4.625 3.984 1.00 1.00 O ATOM 538 CB ASN A 35 7.510 -3.033 6.903 1.00 1.00 C ATOM 539 CG ASN A 35 7.779 -1.798 7.752 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.608 -1.812 8.660 1.00 1.00 O ATOM 541 ND2 ASN A 35 7.077 -0.674 7.447 1.00 1.00 N ATOM 0 H ASN A 35 8.014 -2.220 4.221 1.00 1.00 H new ATOM 0 HA ASN A 35 9.568 -3.197 6.502 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.564 -2.925 6.373 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.420 -3.913 7.539 1.00 1.00 H new ATOM 0 HD21 ASN A 35 7.233 0.184 7.976 1.00 1.00 H new ATOM 0 HD22 ASN A 35 6.395 -0.689 6.689 1.00 1.00 H new ATOM 548 N GLY A 36 8.565 -5.654 5.958 1.00 1.00 N ATOM 549 CA GLY A 36 8.799 -6.975 5.460 1.00 1.00 C ATOM 550 C GLY A 36 7.709 -7.507 4.597 1.00 1.00 C ATOM 551 O GLY A 36 6.718 -8.054 5.078 1.00 1.00 O ATOM 0 H GLY A 36 8.332 -5.634 6.951 1.00 1.00 H new ATOM 0 HA2 GLY A 36 9.730 -6.977 4.892 1.00 1.00 H new ATOM 0 HA3 GLY A 36 8.939 -7.649 6.305 1.00 1.00 H new ATOM 555 N GLY A 37 7.876 -7.341 3.272 1.00 1.00 N ATOM 556 CA GLY A 37 6.909 -7.640 2.262 1.00 1.00 C ATOM 557 C GLY A 37 5.854 -6.595 2.150 1.00 1.00 C ATOM 558 O GLY A 37 4.729 -6.872 1.739 1.00 1.00 O ATOM 0 H GLY A 37 8.744 -6.974 2.882 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.413 -7.746 1.302 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.442 -8.600 2.484 1.00 1.00 H new ATOM 562 N VAL A 38 6.182 -5.355 2.554 1.00 1.00 N ATOM 563 CA VAL A 38 5.237 -4.303 2.766 1.00 1.00 C ATOM 564 C VAL A 38 5.778 -3.008 2.264 1.00 1.00 C ATOM 565 O VAL A 38 6.879 -2.599 2.628 1.00 1.00 O ATOM 566 CB VAL A 38 4.938 -4.173 4.230 1.00 1.00 C ATOM 567 CG1 VAL A 38 4.125 -2.907 4.549 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.172 -5.398 4.759 1.00 1.00 C ATOM 0 H VAL A 38 7.145 -5.074 2.741 1.00 1.00 H new ATOM 0 HA VAL A 38 4.324 -4.546 2.222 1.00 1.00 H new ATOM 0 HB VAL A 38 5.906 -4.103 4.727 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.934 -2.858 5.621 1.00 1.00 H new ATOM 0 HG12 VAL A 38 4.687 -2.026 4.240 1.00 1.00 H new ATOM 0 HG13 VAL A 38 3.177 -2.939 4.012 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.972 -5.270 5.823 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.229 -5.497 4.222 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.772 -6.295 4.608 1.00 1.00 H new ATOM 578 N LEU A 39 5.003 -2.279 1.441 1.00 1.00 N ATOM 579 CA LEU A 39 5.126 -0.861 1.302 1.00 1.00 C ATOM 580 C LEU A 39 3.905 -0.230 1.879 1.00 1.00 C ATOM 581 O LEU A 39 2.771 -0.611 1.593 1.00 1.00 O ATOM 582 CB LEU A 39 5.226 -0.403 -0.164 1.00 1.00 C ATOM 583 CG LEU A 39 6.658 -0.465 -0.724 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.650 -0.449 -2.262 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.512 0.710 -0.220 1.00 1.00 C ATOM 0 H LEU A 39 4.272 -2.686 0.857 1.00 1.00 H new ATOM 0 HA LEU A 39 6.043 -0.566 1.813 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.576 -1.027 -0.778 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.856 0.619 -0.244 1.00 1.00 H new ATOM 0 HG LEU A 39 7.094 -1.399 -0.371 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.674 -0.494 -2.632 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.093 -1.310 -2.632 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.177 0.468 -2.614 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.517 0.634 -0.635 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.059 1.650 -0.535 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.566 0.680 0.868 1.00 1.00 H new ATOM 597 N THR A 40 4.110 0.801 2.718 1.00 1.00 N ATOM 598 CA THR A 40 3.031 1.518 3.322 1.00 1.00 C ATOM 599 C THR A 40 3.223 2.957 2.987 1.00 1.00 C ATOM 600 O THR A 40 4.248 3.567 3.286 1.00 1.00 O ATOM 601 CB THR A 40 2.906 1.385 4.810 1.00 1.00 C ATOM 602 OG1 THR A 40 3.185 0.055 5.225 1.00 1.00 O ATOM 603 CG2 THR A 40 1.449 1.654 5.219 1.00 1.00 C ATOM 0 H THR A 40 5.035 1.141 2.980 1.00 1.00 H new ATOM 0 HA THR A 40 2.112 1.087 2.926 1.00 1.00 H new ATOM 0 HB THR A 40 3.605 2.088 5.264 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.099 -0.008 6.199 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.351 1.559 6.300 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.166 2.662 4.916 1.00 1.00 H new ATOM 0 HG23 THR A 40 0.795 0.932 4.731 1.00 1.00 H new ATOM 611 N ILE A 41 2.241 3.560 2.292 1.00 1.00 N ATOM 612 CA ILE A 41 2.375 4.856 1.702 1.00 1.00 C ATOM 613 C ILE A 41 1.849 5.863 2.666 1.00 1.00 C ATOM 614 O ILE A 41 0.689 5.789 3.065 1.00 1.00 O ATOM 615 CB ILE A 41 1.639 4.883 0.394 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.225 3.833 -0.566 1.00 1.00 C ATOM 617 CG2 ILE A 41 1.654 6.297 -0.211 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.328 3.532 -1.766 1.00 1.00 C ATOM 0 H ILE A 41 1.328 3.134 2.136 1.00 1.00 H new ATOM 0 HA ILE A 41 3.418 5.092 1.493 1.00 1.00 H new ATOM 0 HB ILE A 41 0.595 4.623 0.567 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.193 4.182 -0.925 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.403 2.909 -0.016 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.115 6.293 -1.158 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.173 6.992 0.477 1.00 1.00 H new ATOM 0 HG23 ILE A 41 2.684 6.609 -0.381 1.00 1.00 H new ATOM 0 HD11 ILE A 41 1.805 2.784 -2.398 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.368 3.153 -1.416 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.170 4.445 -2.340 1.00 1.00 H new ATOM 630 N THR A 42 2.684 6.824 3.099 1.00 1.00 N ATOM 631 CA THR A 42 2.251 7.846 4.001 1.00 1.00 C ATOM 632 C THR A 42 2.555 9.208 3.475 1.00 1.00 C ATOM 633 O THR A 42 3.680 9.528 3.098 1.00 1.00 O ATOM 634 CB THR A 42 2.707 7.728 5.424 1.00 1.00 C ATOM 635 OG1 THR A 42 4.102 7.899 5.628 1.00 1.00 O ATOM 636 CG2 THR A 42 2.335 6.352 6.002 1.00 1.00 C ATOM 0 H THR A 42 3.664 6.893 2.823 1.00 1.00 H new ATOM 0 HA THR A 42 1.174 7.687 4.046 1.00 1.00 H new ATOM 0 HB THR A 42 2.194 8.546 5.930 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.595 7.458 4.905 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.675 6.287 7.036 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.253 6.223 5.967 1.00 1.00 H new ATOM 0 HG23 THR A 42 2.813 5.569 5.413 1.00 1.00 H new ATOM 644 N PHE A 43 1.550 10.102 3.452 1.00 1.00 N ATOM 645 CA PHE A 43 1.730 11.482 3.121 1.00 1.00 C ATOM 646 C PHE A 43 1.300 12.330 4.267 1.00 1.00 C ATOM 647 O PHE A 43 0.699 11.867 5.236 1.00 1.00 O ATOM 648 CB PHE A 43 1.066 11.882 1.792 1.00 1.00 C ATOM 649 CG PHE A 43 -0.295 11.304 1.608 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.383 11.826 2.268 1.00 1.00 C ATOM 651 CD2 PHE A 43 -0.479 10.247 0.749 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.640 11.301 2.079 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.731 9.710 0.555 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.810 10.240 1.221 1.00 1.00 C ATOM 0 H PHE A 43 0.584 9.858 3.670 1.00 1.00 H new ATOM 0 HA PHE A 43 2.793 11.652 2.949 1.00 1.00 H new ATOM 0 HB2 PHE A 43 1.000 12.969 1.741 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.702 11.562 0.967 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.249 12.658 2.943 1.00 1.00 H new ATOM 0 HD2 PHE A 43 0.368 9.834 0.221 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.488 11.719 2.601 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -1.865 8.876 -0.118 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.794 9.822 1.070 1.00 1.00 H new ATOM 664 N GLU A 44 1.621 13.636 4.224 1.00 1.00 N ATOM 665 CA GLU A 44 1.541 14.559 5.314 1.00 1.00 C ATOM 666 C GLU A 44 0.177 14.831 5.845 1.00 1.00 C ATOM 667 O GLU A 44 -0.008 15.050 7.042 1.00 1.00 O ATOM 668 CB GLU A 44 2.257 15.822 4.806 1.00 1.00 C ATOM 669 CG GLU A 44 1.487 16.733 3.850 1.00 1.00 C ATOM 670 CD GLU A 44 0.787 17.868 4.582 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.494 18.751 5.136 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.473 17.887 4.619 1.00 1.00 O ATOM 0 H GLU A 44 1.960 14.076 3.368 1.00 1.00 H new ATOM 0 HA GLU A 44 2.015 14.129 6.196 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.550 16.414 5.673 1.00 1.00 H new ATOM 0 HB3 GLU A 44 3.175 15.511 4.308 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.174 17.147 3.112 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.749 16.145 3.304 1.00 1.00 H new ATOM 679 N ASN A 45 -0.847 14.719 4.979 1.00 1.00 N ATOM 680 CA ASN A 45 -2.237 14.800 5.304 1.00 1.00 C ATOM 681 C ASN A 45 -2.748 13.684 6.149 1.00 1.00 C ATOM 682 O ASN A 45 -3.896 13.719 6.589 1.00 1.00 O ATOM 683 CB ASN A 45 -3.098 14.919 4.036 1.00 1.00 C ATOM 684 CG ASN A 45 -3.314 16.377 3.655 1.00 1.00 C ATOM 685 OD1 ASN A 45 -4.099 17.076 4.293 1.00 1.00 O ATOM 686 ND2 ASN A 45 -2.666 16.853 2.557 1.00 1.00 N ATOM 0 H ASN A 45 -0.691 14.561 3.983 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.323 15.704 5.906 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -2.614 14.393 3.213 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.061 14.436 4.200 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -2.827 17.811 2.245 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -2.020 16.252 2.046 1.00 1.00 H new ATOM 693 N GLY A 46 -1.939 12.656 6.459 1.00 1.00 N ATOM 694 CA GLY A 46 -2.171 11.796 7.578 1.00 1.00 C ATOM 695 C GLY A 46 -2.738 10.450 7.287 1.00 1.00 C ATOM 696 O GLY A 46 -3.216 9.776 8.199 1.00 1.00 O ATOM 0 H GLY A 46 -1.106 12.417 5.921 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.225 11.660 8.103 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.846 12.307 8.265 1.00 1.00 H new ATOM 700 N SER A 47 -2.699 9.996 6.021 1.00 1.00 N ATOM 701 CA SER A 47 -3.251 8.736 5.627 1.00 1.00 C ATOM 702 C SER A 47 -2.272 7.614 5.674 1.00 1.00 C ATOM 703 O SER A 47 -1.132 7.765 6.109 1.00 1.00 O ATOM 704 CB SER A 47 -3.885 8.792 4.227 1.00 1.00 C ATOM 705 OG SER A 47 -4.861 7.781 4.026 1.00 1.00 O ATOM 0 H SER A 47 -2.274 10.516 5.253 1.00 1.00 H new ATOM 0 HA SER A 47 -4.025 8.535 6.368 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.345 9.769 4.080 1.00 1.00 H new ATOM 0 HB3 SER A 47 -3.103 8.691 3.474 1.00 1.00 H new ATOM 0 HG SER A 47 -5.724 8.085 4.378 1.00 1.00 H new ATOM 711 N LYS A 48 -2.717 6.426 5.229 1.00 1.00 N ATOM 712 CA LYS A 48 -1.973 5.207 5.298 1.00 1.00 C ATOM 713 C LYS A 48 -2.512 4.199 4.341 1.00 1.00 C ATOM 714 O LYS A 48 -3.509 3.518 4.577 1.00 1.00 O ATOM 715 CB LYS A 48 -1.829 4.658 6.728 1.00 1.00 C ATOM 716 CG LYS A 48 -3.085 4.292 7.520 1.00 1.00 C ATOM 717 CD LYS A 48 -3.940 5.447 8.048 1.00 1.00 C ATOM 718 CE LYS A 48 -5.257 4.950 8.648 1.00 1.00 C ATOM 719 NZ LYS A 48 -6.129 6.090 9.006 1.00 1.00 N ATOM 0 H LYS A 48 -3.636 6.310 4.802 1.00 1.00 H new ATOM 0 HA LYS A 48 -0.954 5.440 4.989 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.204 3.767 6.675 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.280 5.399 7.309 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.715 3.668 6.886 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.782 3.680 8.370 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -3.381 5.997 8.805 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -4.150 6.144 7.237 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -5.768 4.305 7.933 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -5.055 4.348 9.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -7.018 5.733 9.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -5.646 6.690 9.705 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -6.337 6.649 8.154 1.00 1.00 H new ATOM 733 N ILE A 49 -1.864 4.056 3.171 1.00 1.00 N ATOM 734 CA ILE A 49 -2.298 3.225 2.091 1.00 1.00 C ATOM 735 C ILE A 49 -1.366 2.062 2.074 1.00 1.00 C ATOM 736 O ILE A 49 -0.155 2.240 1.954 1.00 1.00 O ATOM 737 CB ILE A 49 -2.271 3.940 0.774 1.00 1.00 C ATOM 738 CG1 ILE A 49 -2.026 5.457 0.843 1.00 1.00 C ATOM 739 CG2 ILE A 49 -3.566 3.654 -0.004 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.197 6.306 1.336 1.00 1.00 C ATOM 0 H ILE A 49 -0.992 4.545 2.968 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.334 2.921 2.239 1.00 1.00 H new ATOM 0 HB ILE A 49 -1.400 3.539 0.255 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.173 5.637 1.497 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.745 5.805 -0.151 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -3.539 4.177 -0.960 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -3.656 2.582 -0.179 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -4.422 4.000 0.575 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.907 7.357 1.342 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -4.051 6.169 0.672 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.469 5.999 2.346 1.00 1.00 H new ATOM 752 N ILE A 50 -1.841 0.815 2.241 1.00 1.00 N ATOM 753 CA ILE A 50 -1.010 -0.314 2.528 1.00 1.00 C ATOM 754 C ILE A 50 -0.990 -1.286 1.401 1.00 1.00 C ATOM 755 O ILE A 50 -2.012 -1.699 0.856 1.00 1.00 O ATOM 756 CB ILE A 50 -1.443 -0.914 3.834 1.00 1.00 C ATOM 757 CG1 ILE A 50 -0.779 -2.263 4.162 1.00 1.00 C ATOM 758 CG2 ILE A 50 -2.972 -1.069 3.895 1.00 1.00 C ATOM 759 CD1 ILE A 50 0.732 -2.170 4.367 1.00 1.00 C ATOM 0 H ILE A 50 -2.832 0.585 2.175 1.00 1.00 H new ATOM 0 HA ILE A 50 0.027 0.006 2.634 1.00 1.00 H new ATOM 0 HB ILE A 50 -1.107 -0.206 4.591 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -1.235 -2.672 5.064 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -0.985 -2.965 3.354 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -3.255 -1.506 4.852 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.441 -0.091 3.789 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.304 -1.720 3.086 1.00 1.00 H new ATOM 0 HD11 ILE A 50 1.130 -3.159 4.594 1.00 1.00 H new ATOM 0 HD12 ILE A 50 1.200 -1.791 3.458 1.00 1.00 H new ATOM 0 HD13 ILE A 50 0.946 -1.494 5.195 1.00 1.00 H new ATOM 771 N ILE A 51 0.228 -1.665 0.972 1.00 1.00 N ATOM 772 CA ILE A 51 0.515 -2.568 -0.098 1.00 1.00 C ATOM 773 C ILE A 51 1.390 -3.677 0.374 1.00 1.00 C ATOM 774 O ILE A 51 2.430 -3.500 1.006 1.00 1.00 O ATOM 775 CB ILE A 51 1.171 -1.894 -1.267 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.362 -0.616 -1.548 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.192 -2.864 -2.460 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.625 0.012 -2.916 1.00 1.00 C ATOM 0 H ILE A 51 1.078 -1.310 1.410 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.446 -2.960 -0.432 1.00 1.00 H new ATOM 0 HB ILE A 51 2.208 -1.622 -1.071 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.700 -0.848 -1.467 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.588 0.119 -0.775 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.667 -2.381 -3.314 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.753 -3.759 -2.191 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.171 -3.141 -2.722 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.013 0.907 -3.029 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.679 0.280 -2.997 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.371 -0.702 -3.699 1.00 1.00 H new ATOM 790 N ASN A 52 0.938 -4.914 0.100 1.00 1.00 N ATOM 791 CA ASN A 52 1.442 -6.113 0.696 1.00 1.00 C ATOM 792 C ASN A 52 0.980 -7.219 -0.191 1.00 1.00 C ATOM 793 O ASN A 52 0.242 -7.037 -1.159 1.00 1.00 O ATOM 794 CB ASN A 52 1.020 -6.160 2.174 1.00 1.00 C ATOM 795 CG ASN A 52 1.184 -7.468 2.933 1.00 1.00 C ATOM 796 OD1 ASN A 52 0.218 -7.987 3.491 1.00 1.00 O ATOM 797 ND2 ASN A 52 2.427 -8.019 2.979 1.00 1.00 N ATOM 0 H ASN A 52 0.187 -5.086 -0.568 1.00 1.00 H new ATOM 0 HA ASN A 52 2.528 -6.189 0.754 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.586 -5.395 2.705 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.030 -5.874 2.228 1.00 1.00 H new ATOM 0 HD21 ASN A 52 2.580 -8.890 3.488 1.00 1.00 H new ATOM 0 HD22 ASN A 52 3.206 -7.561 2.505 1.00 1.00 H new ATOM 804 N ARG A 53 1.513 -8.429 0.049 1.00 1.00 N ATOM 805 CA ARG A 53 1.561 -9.430 -0.972 1.00 1.00 C ATOM 806 C ARG A 53 1.611 -10.793 -0.373 1.00 1.00 C ATOM 807 O ARG A 53 2.340 -11.072 0.577 1.00 1.00 O ATOM 808 CB ARG A 53 2.787 -9.085 -1.834 1.00 1.00 C ATOM 809 CG ARG A 53 3.338 -10.165 -2.768 1.00 1.00 C ATOM 810 CD ARG A 53 4.675 -9.815 -3.427 1.00 1.00 C ATOM 811 NE ARG A 53 5.703 -9.817 -2.347 1.00 1.00 N ATOM 812 CZ ARG A 53 6.743 -8.937 -2.288 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.127 -8.196 -3.367 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.439 -8.811 -1.121 1.00 1.00 N ATOM 0 H ARG A 53 1.909 -8.714 0.945 1.00 1.00 H new ATOM 0 HA ARG A 53 0.667 -9.440 -1.595 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.534 -8.216 -2.442 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.591 -8.782 -1.164 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.457 -11.089 -2.203 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.603 -10.361 -3.549 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.926 -10.541 -4.201 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.624 -8.839 -3.910 1.00 1.00 H new ATOM 0 HE ARG A 53 5.624 -10.517 -1.610 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.631 -8.291 -4.253 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.910 -7.547 -3.287 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.179 -9.371 -0.309 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.220 -8.157 -1.061 1.00 1.00 H new ATOM 828 N GLN A 54 0.802 -11.692 -0.965 1.00 1.00 N ATOM 829 CA GLN A 54 0.709 -13.071 -0.603 1.00 1.00 C ATOM 830 C GLN A 54 1.579 -13.831 -1.544 1.00 1.00 C ATOM 831 O GLN A 54 1.488 -13.692 -2.763 1.00 1.00 O ATOM 832 CB GLN A 54 -0.757 -13.521 -0.729 1.00 1.00 C ATOM 833 CG GLN A 54 -1.583 -13.404 0.553 1.00 1.00 C ATOM 834 CD GLN A 54 -1.405 -14.634 1.432 1.00 1.00 C ATOM 835 OE1 GLN A 54 -0.363 -14.863 2.043 1.00 1.00 O ATOM 836 NE2 GLN A 54 -2.470 -15.475 1.511 1.00 1.00 N ATOM 0 H GLN A 54 0.182 -11.442 -1.735 1.00 1.00 H new ATOM 0 HA GLN A 54 1.032 -13.244 0.424 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.237 -12.929 -1.508 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.775 -14.559 -1.061 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.282 -12.513 1.104 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.636 -13.282 0.301 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -3.325 -15.265 0.995 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -2.414 -16.316 2.086 1.00 1.00 H new ATOM 845 N GLU A 55 2.484 -14.656 -0.987 1.00 1.00 N ATOM 846 CA GLU A 55 3.222 -15.654 -1.695 1.00 1.00 C ATOM 847 C GLU A 55 2.435 -16.700 -2.406 1.00 1.00 C ATOM 848 O GLU A 55 2.906 -17.056 -3.485 1.00 1.00 O ATOM 849 CB GLU A 55 4.311 -16.285 -0.808 1.00 1.00 C ATOM 850 CG GLU A 55 5.493 -15.337 -0.589 1.00 1.00 C ATOM 851 CD GLU A 55 6.577 -15.878 0.332 1.00 1.00 C ATOM 852 OE1 GLU A 55 6.577 -17.090 0.675 1.00 1.00 O ATOM 853 OE2 GLU A 55 7.461 -15.075 0.730 1.00 1.00 O ATOM 0 H GLU A 55 2.712 -14.624 0.007 1.00 1.00 H new ATOM 0 HA GLU A 55 3.683 -15.090 -2.506 1.00 1.00 H new ATOM 0 HB2 GLU A 55 3.881 -16.557 0.156 1.00 1.00 H new ATOM 0 HB3 GLU A 55 4.666 -17.206 -1.270 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.939 -15.104 -1.556 1.00 1.00 H new ATOM 0 HG3 GLU A 55 5.119 -14.400 -0.177 1.00 1.00 H new ATOM 860 N PRO A 56 1.334 -17.269 -2.015 1.00 1.00 N ATOM 861 CA PRO A 56 0.463 -17.960 -2.920 1.00 1.00 C ATOM 862 C PRO A 56 -0.393 -17.017 -3.692 1.00 1.00 C ATOM 863 O PRO A 56 -0.619 -15.894 -3.241 1.00 1.00 O ATOM 864 CB PRO A 56 -0.359 -18.860 -2.000 1.00 1.00 C ATOM 865 CG PRO A 56 -0.504 -18.038 -0.710 1.00 1.00 C ATOM 866 CD PRO A 56 0.847 -17.309 -0.644 1.00 1.00 C ATOM 0 HA PRO A 56 1.002 -18.521 -3.683 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -1.330 -19.095 -2.435 1.00 1.00 H new ATOM 0 HB3 PRO A 56 0.145 -19.808 -1.815 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -1.341 -17.342 -0.761 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -0.669 -18.672 0.161 1.00 1.00 H new ATOM 0 HD2 PRO A 56 0.731 -16.304 -0.239 1.00 1.00 H new ATOM 0 HD3 PRO A 56 1.546 -17.836 0.006 1.00 1.00 H new ATOM 874 N LEU A 57 -0.882 -17.417 -4.879 1.00 1.00 N ATOM 875 CA LEU A 57 -1.620 -16.622 -5.812 1.00 1.00 C ATOM 876 C LEU A 57 -0.867 -15.514 -6.463 1.00 1.00 C ATOM 877 O LEU A 57 -0.108 -14.746 -5.874 1.00 1.00 O ATOM 878 CB LEU A 57 -3.036 -16.212 -5.370 1.00 1.00 C ATOM 879 CG LEU A 57 -4.015 -17.390 -5.242 1.00 1.00 C ATOM 880 CD1 LEU A 57 -4.014 -18.022 -3.840 1.00 1.00 C ATOM 881 CD2 LEU A 57 -5.442 -16.948 -5.608 1.00 1.00 C ATOM 0 H LEU A 57 -0.750 -18.372 -5.212 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.781 -17.346 -6.611 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.972 -15.700 -4.410 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.437 -15.496 -6.087 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.671 -18.152 -5.942 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.725 -18.848 -3.813 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -3.016 -18.395 -3.610 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.300 -17.272 -3.103 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -6.121 -17.795 -5.512 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.759 -16.150 -4.936 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.458 -16.585 -6.636 1.00 1.00 H new ATOM 893 N HIS A 58 -1.054 -15.405 -7.790 1.00 1.00 N ATOM 894 CA HIS A 58 -0.400 -14.485 -8.666 1.00 1.00 C ATOM 895 C HIS A 58 -0.904 -13.083 -8.593 1.00 1.00 C ATOM 896 O HIS A 58 -1.050 -12.427 -9.622 1.00 1.00 O ATOM 897 CB HIS A 58 -0.600 -14.947 -10.118 1.00 1.00 C ATOM 898 CG HIS A 58 -0.195 -16.365 -10.394 1.00 1.00 C ATOM 899 ND1 HIS A 58 -0.945 -17.185 -11.196 1.00 1.00 N ATOM 900 CD2 HIS A 58 0.939 -17.051 -10.088 1.00 1.00 C ATOM 901 CE1 HIS A 58 -0.306 -18.326 -11.362 1.00 1.00 C ATOM 902 NE2 HIS A 58 0.839 -18.270 -10.705 1.00 1.00 N ATOM 0 H HIS A 58 -1.712 -16.006 -8.286 1.00 1.00 H new ATOM 0 HA HIS A 58 0.642 -14.480 -8.348 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.651 -14.828 -10.380 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.031 -14.288 -10.775 1.00 1.00 H new ATOM 0 HD1 HIS A 58 -1.852 -16.950 -11.600 1.00 1.00 H new ATOM 0 HD2 HIS A 58 1.759 -16.702 -9.477 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -0.660 -19.167 -11.939 1.00 1.00 H new ATOM 910 N GLN A 59 -1.190 -12.521 -7.406 1.00 1.00 N ATOM 911 CA GLN A 59 -1.836 -11.251 -7.269 1.00 1.00 C ATOM 912 C GLN A 59 -1.335 -10.551 -6.053 1.00 1.00 C ATOM 913 O GLN A 59 -0.792 -11.168 -5.137 1.00 1.00 O ATOM 914 CB GLN A 59 -3.366 -11.388 -7.197 1.00 1.00 C ATOM 915 CG GLN A 59 -3.852 -12.540 -6.315 1.00 1.00 C ATOM 916 CD GLN A 59 -5.346 -12.481 -6.024 1.00 1.00 C ATOM 917 OE1 GLN A 59 -5.771 -12.560 -4.873 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.172 -12.344 -7.096 1.00 1.00 N ATOM 0 H GLN A 59 -0.966 -12.962 -6.514 1.00 1.00 H new ATOM 0 HA GLN A 59 -1.596 -10.665 -8.156 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.786 -10.455 -6.821 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.755 -11.528 -8.206 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.620 -13.486 -6.804 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.304 -12.525 -5.373 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -5.781 -12.282 -8.036 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.182 -12.304 -6.960 1.00 1.00 H new ATOM 927 N VAL A 60 -1.480 -9.215 -6.010 1.00 1.00 N ATOM 928 CA VAL A 60 -1.003 -8.392 -4.941 1.00 1.00 C ATOM 929 C VAL A 60 -2.193 -7.732 -4.334 1.00 1.00 C ATOM 930 O VAL A 60 -3.260 -7.711 -4.944 1.00 1.00 O ATOM 931 CB VAL A 60 0.008 -7.414 -5.461 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.525 -6.396 -4.432 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.235 -8.169 -5.997 1.00 1.00 C ATOM 0 H VAL A 60 -1.947 -8.687 -6.747 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.491 -8.973 -4.174 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.524 -6.858 -6.233 1.00 1.00 H new ATOM 0 HG11 VAL A 60 1.250 -5.735 -4.907 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.310 -5.806 -4.053 1.00 1.00 H new ATOM 0 HG13 VAL A 60 1.001 -6.924 -3.606 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.966 -7.454 -6.374 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.681 -8.755 -5.194 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.929 -8.834 -6.804 1.00 1.00 H new ATOM 943 N TRP A 61 -2.117 -7.186 -3.107 1.00 1.00 N ATOM 944 CA TRP A 61 -3.205 -6.517 -2.464 1.00 1.00 C ATOM 945 C TRP A 61 -2.993 -5.042 -2.511 1.00 1.00 C ATOM 946 O TRP A 61 -1.856 -4.574 -2.542 1.00 1.00 O ATOM 947 CB TRP A 61 -3.459 -7.085 -1.058 1.00 1.00 C ATOM 948 CG TRP A 61 -3.226 -6.235 0.167 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.119 -5.467 0.386 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.089 -6.009 1.298 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.278 -4.690 1.503 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.448 -5.069 2.115 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.308 -6.532 1.636 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.017 -4.684 3.298 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.863 -6.137 2.830 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.226 -5.236 3.651 1.00 1.00 C ATOM 0 H TRP A 61 -1.268 -7.211 -2.543 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.130 -6.708 -3.007 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.497 -7.415 -1.027 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -2.839 -7.975 -0.954 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.237 -5.471 -0.237 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.641 -3.960 1.823 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.816 -7.230 0.987 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.529 -3.965 3.939 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.818 -6.542 3.129 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.683 -4.957 4.589 1.00 1.00 H new ATOM 967 N LEU A 62 -4.060 -4.226 -2.479 1.00 1.00 N ATOM 968 CA LEU A 62 -3.909 -2.862 -2.074 1.00 1.00 C ATOM 969 C LEU A 62 -5.118 -2.460 -1.301 1.00 1.00 C ATOM 970 O LEU A 62 -6.258 -2.639 -1.726 1.00 1.00 O ATOM 971 CB LEU A 62 -3.544 -1.895 -3.213 1.00 1.00 C ATOM 972 CG LEU A 62 -4.655 -1.445 -4.177 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.297 -0.110 -4.852 1.00 1.00 C ATOM 974 CD2 LEU A 62 -4.910 -2.523 -5.242 1.00 1.00 C ATOM 0 H LEU A 62 -5.010 -4.501 -2.728 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.036 -2.792 -1.425 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.113 -1.001 -2.763 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.759 -2.363 -3.807 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.565 -1.300 -3.595 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.101 0.183 -5.528 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.165 0.659 -4.091 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -3.372 -0.224 -5.417 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.699 -2.189 -5.916 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -3.996 -2.696 -5.810 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.216 -3.449 -4.756 1.00 1.00 H new ATOM 986 N ALA A 63 -4.895 -1.936 -0.082 1.00 1.00 N ATOM 987 CA ALA A 63 -5.918 -1.420 0.772 1.00 1.00 C ATOM 988 C ALA A 63 -5.713 0.020 1.102 1.00 1.00 C ATOM 989 O ALA A 63 -4.598 0.535 1.143 1.00 1.00 O ATOM 990 CB ALA A 63 -6.132 -2.272 2.035 1.00 1.00 C ATOM 0 H ALA A 63 -3.962 -1.870 0.325 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.842 -1.485 0.197 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.921 -1.829 2.643 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.420 -3.283 1.747 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.207 -2.308 2.611 1.00 1.00 H new ATOM 996 N THR A 64 -6.832 0.748 1.262 1.00 1.00 N ATOM 997 CA THR A 64 -6.954 2.152 1.027 1.00 1.00 C ATOM 998 C THR A 64 -7.731 2.799 2.122 1.00 1.00 C ATOM 999 O THR A 64 -7.710 2.368 3.274 1.00 1.00 O ATOM 1000 CB THR A 64 -7.594 2.415 -0.304 1.00 1.00 C ATOM 1001 OG1 THR A 64 -8.895 1.856 -0.405 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.768 1.792 -1.442 1.00 1.00 C ATOM 0 H THR A 64 -7.707 0.328 1.576 1.00 1.00 H new ATOM 0 HA THR A 64 -5.954 2.585 1.013 1.00 1.00 H new ATOM 0 HB THR A 64 -7.647 3.500 -0.389 1.00 1.00 H new ATOM 0 HG1 THR A 64 -9.269 2.056 -1.288 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.252 1.996 -2.397 1.00 1.00 H new ATOM 0 HG22 THR A 64 -5.767 2.223 -1.443 1.00 1.00 H new ATOM 0 HG23 THR A 64 -6.699 0.714 -1.293 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.471 3.878 1.812 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.378 4.567 2.675 1.00 1.00 C ATOM 1012 C LYS A 65 -10.489 3.697 3.153 1.00 1.00 C ATOM 1013 O LYS A 65 -10.578 3.392 4.341 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.883 5.846 1.984 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.527 6.892 2.897 1.00 1.00 C ATOM 1016 CD LYS A 65 -12.014 6.663 3.178 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.745 7.914 3.666 1.00 1.00 C ATOM 1018 NZ LYS A 65 -14.181 7.612 3.853 1.00 1.00 N ATOM 0 H LYS A 65 -8.431 4.300 0.884 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.837 4.856 3.576 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.044 6.311 1.467 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.609 5.561 1.222 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.990 6.908 3.845 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.403 7.876 2.444 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.496 6.302 2.269 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.117 5.877 3.926 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.311 8.258 4.605 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.624 8.722 2.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -14.675 8.465 4.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.592 7.304 2.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -14.288 6.854 4.557 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.395 3.270 2.257 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.453 2.381 2.626 1.00 1.00 C ATOM 1034 C GLN A 66 -12.592 1.213 1.712 1.00 1.00 C ATOM 1035 O GLN A 66 -13.151 0.179 2.078 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.785 3.127 2.813 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.872 2.283 3.482 1.00 1.00 C ATOM 1038 CD GLN A 66 -16.059 3.102 3.972 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -16.465 3.015 5.129 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -16.642 3.925 3.059 1.00 1.00 N ATOM 0 H GLN A 66 -11.395 3.541 1.274 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.170 1.965 3.593 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -13.610 4.020 3.412 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -14.144 3.461 1.840 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -15.225 1.532 2.775 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.437 1.747 4.326 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -16.277 3.971 2.108 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -17.444 4.496 3.326 1.00 1.00 H new ATOM 1049 N GLY A 67 -12.098 1.301 0.464 1.00 1.00 N ATOM 1050 CA GLY A 67 -12.258 0.253 -0.496 1.00 1.00 C ATOM 1051 C GLY A 67 -11.253 -0.842 -0.373 1.00 1.00 C ATOM 1052 O GLY A 67 -11.384 -1.759 0.436 1.00 1.00 O ATOM 0 H GLY A 67 -11.581 2.109 0.117 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -13.257 -0.171 -0.392 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.195 0.679 -1.497 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.218 -0.783 -1.230 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.238 -1.812 -1.392 1.00 1.00 C ATOM 1058 C GLY A 68 -9.708 -3.076 -2.024 1.00 1.00 C ATOM 1059 O GLY A 68 -10.857 -3.490 -1.873 1.00 1.00 O ATOM 0 H GLY A 68 -10.057 0.020 -1.838 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.419 -1.414 -1.991 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.828 -2.052 -0.411 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.812 -3.765 -2.755 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.019 -5.100 -3.224 1.00 1.00 C ATOM 1065 C TYR A 69 -7.702 -5.618 -3.690 1.00 1.00 C ATOM 1066 O TYR A 69 -6.722 -4.879 -3.770 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.137 -5.273 -4.266 1.00 1.00 C ATOM 1068 CG TYR A 69 -10.850 -6.552 -3.991 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.702 -6.687 -2.920 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -10.582 -7.655 -4.767 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.280 -7.900 -2.627 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -11.149 -8.873 -4.478 1.00 1.00 C ATOM 1073 CZ TYR A 69 -11.996 -8.999 -3.402 1.00 1.00 C ATOM 1074 OH TYR A 69 -12.548 -10.259 -3.092 1.00 1.00 O ATOM 0 H TYR A 69 -7.909 -3.377 -3.029 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.398 -5.694 -2.393 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -10.832 -4.435 -4.218 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.718 -5.282 -5.272 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.920 -5.829 -2.301 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -9.918 -7.563 -5.614 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -12.956 -7.989 -1.789 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -10.929 -9.731 -5.096 1.00 1.00 H new ATOM 0 HH TYR A 69 -12.241 -10.921 -3.746 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.586 -6.928 -3.974 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.411 -7.485 -4.567 1.00 1.00 C ATOM 1086 C HIS A 70 -6.535 -7.590 -6.050 1.00 1.00 C ATOM 1087 O HIS A 70 -7.629 -7.518 -6.607 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.030 -8.833 -3.933 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.153 -9.827 -3.911 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.699 -10.304 -2.749 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -7.839 -10.408 -4.932 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.668 -11.150 -3.044 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -8.777 -11.225 -4.358 1.00 1.00 N ATOM 0 H HIS A 70 -8.320 -7.611 -3.789 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.595 -6.793 -4.360 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.190 -9.259 -4.482 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -5.689 -8.661 -2.912 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -7.676 -10.255 -5.989 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.271 -11.691 -2.330 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -9.451 -11.799 -4.864 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.390 -7.683 -6.749 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.336 -7.345 -8.137 1.00 1.00 C ATOM 1103 C PHE A 71 -4.526 -8.272 -8.975 1.00 1.00 C ATOM 1104 O PHE A 71 -3.413 -8.660 -8.619 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.934 -5.865 -8.254 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.538 -5.503 -7.874 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.187 -5.117 -6.603 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.594 -5.441 -8.873 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.917 -4.658 -6.340 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.317 -4.999 -8.621 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.983 -4.602 -7.347 1.00 1.00 C ATOM 0 H PHE A 71 -4.502 -7.992 -6.353 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.329 -7.479 -8.567 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.094 -5.553 -9.286 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.614 -5.281 -7.635 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -3.913 -5.174 -5.805 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.861 -5.745 -9.874 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.654 -4.341 -5.342 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.585 -4.964 -9.414 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.015 -4.246 -7.138 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.087 -8.676 -10.128 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.536 -9.615 -11.056 1.00 1.00 C ATOM 1123 C ASP A 72 -4.026 -8.889 -12.252 1.00 1.00 C ATOM 1124 O ASP A 72 -4.179 -7.674 -12.370 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.612 -10.614 -11.517 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.136 -11.497 -10.394 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.356 -12.342 -9.882 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -7.356 -11.438 -10.084 1.00 1.00 O ATOM 0 H ASP A 72 -5.993 -8.320 -10.434 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.728 -10.154 -10.561 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.445 -10.064 -11.955 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.198 -11.246 -12.303 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.396 -9.576 -13.221 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.901 -8.996 -14.432 1.00 1.00 C ATOM 1135 C LEU A 73 -3.704 -9.457 -15.599 1.00 1.00 C ATOM 1136 O LEU A 73 -3.871 -10.651 -15.839 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.427 -9.413 -14.572 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.662 -8.998 -15.841 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.670 -7.483 -16.097 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.785 -9.507 -15.734 1.00 1.00 C ATOM 0 H LEU A 73 -3.224 -10.579 -13.158 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.982 -7.909 -14.401 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.887 -9.013 -13.714 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.382 -10.500 -14.499 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.175 -9.448 -16.691 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.112 -7.265 -17.008 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.698 -7.139 -16.210 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.206 -6.969 -15.255 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.339 -9.220 -16.628 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.261 -9.070 -14.856 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.783 -10.593 -15.642 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.245 -8.516 -16.393 1.00 1.00 N ATOM 1153 CA LYS A 74 -4.557 -8.752 -17.768 1.00 1.00 C ATOM 1154 C LYS A 74 -3.338 -8.797 -18.623 1.00 1.00 C ATOM 1155 O LYS A 74 -2.666 -9.825 -18.688 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.562 -7.707 -18.281 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.996 -7.965 -17.818 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.986 -6.926 -18.347 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.411 -7.180 -17.847 1.00 1.00 C ATOM 1160 NZ LYS A 74 -10.351 -6.144 -18.331 1.00 1.00 N ATOM 0 H LYS A 74 -4.470 -7.574 -16.074 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.020 -9.737 -17.834 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.251 -6.718 -17.943 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.537 -7.694 -19.371 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.306 -8.957 -18.147 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.026 -7.967 -16.728 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.666 -5.931 -18.038 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.977 -6.940 -19.437 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.746 -8.161 -18.183 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.417 -7.197 -16.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -11.058 -5.945 -17.594 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.826 -5.274 -18.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -10.831 -6.484 -19.189 1.00 1.00 H new ATOM 1174 N GLY A 75 -2.981 -7.710 -19.331 1.00 1.00 N ATOM 1175 CA GLY A 75 -1.894 -7.705 -20.260 1.00 1.00 C ATOM 1176 C GLY A 75 -0.964 -6.554 -20.082 1.00 1.00 C ATOM 1177 O GLY A 75 0.237 -6.737 -19.891 1.00 1.00 O ATOM 0 H GLY A 75 -3.460 -6.813 -19.256 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.333 -8.634 -20.156 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.293 -7.686 -21.274 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.494 -5.322 -20.164 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.782 -4.094 -19.994 1.00 1.00 C ATOM 1183 C ASP A 76 -1.218 -3.422 -18.737 1.00 1.00 C ATOM 1184 O ASP A 76 -0.826 -2.297 -18.430 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.127 -3.126 -21.139 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.676 -3.677 -22.485 1.00 1.00 C ATOM 1187 OD1 ASP A 76 0.558 -3.822 -22.696 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.547 -3.922 -23.362 1.00 1.00 O ATOM 0 H ASP A 76 -2.484 -5.174 -20.362 1.00 1.00 H new ATOM 0 HA ASP A 76 0.283 -4.326 -19.973 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.203 -2.950 -21.158 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -0.650 -2.163 -20.960 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.104 -4.089 -17.975 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.896 -3.465 -16.963 1.00 1.00 C ATOM 1195 C GLU A 77 -3.085 -4.502 -15.910 1.00 1.00 C ATOM 1196 O GLU A 77 -3.590 -5.604 -16.121 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.208 -2.858 -17.488 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.152 -3.769 -18.276 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.663 -4.121 -19.674 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.714 -3.231 -20.566 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.258 -5.289 -19.915 1.00 1.00 O ATOM 0 H GLU A 77 -2.273 -5.091 -18.066 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.391 -2.589 -16.556 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.759 -2.463 -16.635 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -3.954 -2.010 -18.123 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.302 -4.691 -17.714 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -6.124 -3.283 -18.356 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.619 -4.148 -14.699 1.00 1.00 N ATOM 1209 CA TRP A 78 -2.892 -4.863 -13.490 1.00 1.00 C ATOM 1210 C TRP A 78 -4.208 -4.329 -13.042 1.00 1.00 C ATOM 1211 O TRP A 78 -4.406 -3.116 -12.968 1.00 1.00 O ATOM 1212 CB TRP A 78 -1.770 -4.622 -12.466 1.00 1.00 C ATOM 1213 CG TRP A 78 -0.514 -5.434 -12.670 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.621 -5.121 -13.362 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.250 -6.691 -12.021 1.00 1.00 C ATOM 1216 NE1 TRP A 78 1.571 -6.091 -13.185 1.00 1.00 N ATOM 1217 CE2 TRP A 78 1.064 -7.052 -12.341 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.011 -7.482 -11.203 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.621 -8.187 -11.817 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.438 -8.611 -10.668 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.863 -8.947 -10.958 1.00 1.00 C ATOM 0 H TRP A 78 -2.027 -3.330 -14.556 1.00 1.00 H new ATOM 0 HA TRP A 78 -2.931 -5.945 -13.620 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -1.505 -3.565 -12.487 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.160 -4.833 -11.470 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.751 -4.234 -13.964 1.00 1.00 H new ATOM 0 HE1 TRP A 78 2.499 -6.100 -13.608 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.037 -7.225 -10.983 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.629 -8.478 -12.072 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.018 -9.243 -10.011 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.298 -9.824 -10.503 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.220 -5.188 -12.828 1.00 1.00 N ATOM 1233 CA ILE A 79 -6.575 -4.760 -12.672 1.00 1.00 C ATOM 1234 C ILE A 79 -7.143 -5.294 -11.402 1.00 1.00 C ATOM 1235 O ILE A 79 -6.884 -6.417 -10.971 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.395 -5.041 -13.894 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.000 -6.449 -14.036 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -6.673 -4.604 -15.181 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -7.034 -7.632 -14.008 1.00 1.00 C ATOM 0 H ILE A 79 -5.095 -6.198 -12.762 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.600 -3.674 -12.579 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.274 -4.416 -13.735 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.726 -6.587 -13.234 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -8.552 -6.486 -14.975 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.301 -4.825 -16.044 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.475 -3.533 -15.141 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -5.730 -5.144 -15.271 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.593 -8.561 -14.118 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.321 -7.539 -14.827 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.498 -7.641 -13.059 1.00 1.00 H new ATOM 1251 N CYS A 80 -7.919 -4.463 -10.682 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.440 -4.802 -9.395 1.00 1.00 C ATOM 1253 C CYS A 80 -9.618 -5.711 -9.457 1.00 1.00 C ATOM 1254 O CYS A 80 -10.539 -5.477 -10.240 1.00 1.00 O ATOM 1255 CB CYS A 80 -8.829 -3.548 -8.594 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.340 -2.558 -8.262 1.00 1.00 S ATOM 0 H CYS A 80 -8.190 -3.534 -11.003 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.629 -5.330 -8.892 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.555 -2.957 -9.152 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.305 -3.835 -7.656 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.374 -1.471 -8.974 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.686 -6.770 -8.632 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.722 -7.754 -8.706 1.00 1.00 C ATOM 1264 C ASP A 81 -11.980 -7.346 -8.020 1.00 1.00 C ATOM 1265 O ASP A 81 -12.511 -8.026 -7.142 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.126 -9.059 -8.151 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.985 -10.277 -8.454 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.592 -10.353 -9.555 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.012 -11.211 -7.609 1.00 1.00 O ATOM 0 H ASP A 81 -9.004 -6.948 -7.895 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.039 -7.888 -9.740 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.132 -9.207 -8.573 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.003 -8.966 -7.072 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.532 -6.178 -8.396 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.685 -5.597 -7.782 1.00 1.00 C ATOM 1276 C ARG A 82 -14.417 -4.806 -8.811 1.00 1.00 C ATOM 1277 O ARG A 82 -14.341 -5.094 -10.006 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.273 -4.794 -6.537 1.00 1.00 C ATOM 1279 CG ARG A 82 -14.035 -5.148 -5.258 1.00 1.00 C ATOM 1280 CD ARG A 82 -15.350 -4.408 -4.999 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.982 -2.982 -4.768 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.848 -1.976 -4.451 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -17.200 -2.144 -4.372 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.303 -0.763 -4.142 1.00 1.00 N ATOM 0 H ARG A 82 -12.159 -5.615 -9.160 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.373 -6.359 -7.416 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.208 -4.946 -6.361 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.414 -3.733 -6.744 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -14.247 -6.217 -5.276 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -13.374 -4.968 -4.410 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -16.025 -4.504 -5.849 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.867 -4.823 -4.133 1.00 1.00 H new ATOM 0 HE ARG A 82 -13.996 -2.736 -4.855 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -17.612 -3.059 -4.555 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -17.799 -1.354 -4.130 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.290 -0.641 -4.155 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.908 0.021 -3.898 1.00 1.00 H new ATOM 1298 N SER A 83 -15.156 -3.753 -8.421 1.00 1.00 N ATOM 1299 CA SER A 83 -15.977 -2.983 -9.303 1.00 1.00 C ATOM 1300 C SER A 83 -15.224 -2.096 -10.235 1.00 1.00 C ATOM 1301 O SER A 83 -15.755 -1.671 -11.258 1.00 1.00 O ATOM 1302 CB SER A 83 -16.968 -2.108 -8.515 1.00 1.00 C ATOM 1303 OG SER A 83 -16.298 -1.270 -7.586 1.00 1.00 O ATOM 0 H SER A 83 -15.183 -3.425 -7.455 1.00 1.00 H new ATOM 0 HA SER A 83 -16.497 -3.729 -9.904 1.00 1.00 H new ATOM 0 HB2 SER A 83 -17.545 -1.496 -9.208 1.00 1.00 H new ATOM 0 HB3 SER A 83 -17.677 -2.745 -7.986 1.00 1.00 H new ATOM 0 HG SER A 83 -16.955 -0.726 -7.103 1.00 1.00 H new ATOM 1309 N GLY A 84 -13.954 -1.778 -9.927 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.198 -0.834 -10.693 1.00 1.00 C ATOM 1311 C GLY A 84 -11.856 -1.408 -10.991 1.00 1.00 C ATOM 1312 O GLY A 84 -10.870 -1.103 -10.321 1.00 1.00 O ATOM 0 H GLY A 84 -13.446 -2.179 -9.139 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.720 -0.599 -11.620 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -13.093 0.100 -10.141 1.00 1.00 H new ATOM 1316 N GLU A 85 -11.764 -2.304 -11.989 1.00 1.00 N ATOM 1317 CA GLU A 85 -10.553 -3.004 -12.290 1.00 1.00 C ATOM 1318 C GLU A 85 -9.479 -2.212 -12.951 1.00 1.00 C ATOM 1319 O GLU A 85 -9.327 -2.145 -14.170 1.00 1.00 O ATOM 1320 CB GLU A 85 -10.924 -4.302 -13.026 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.549 -4.164 -14.415 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.097 -5.483 -14.947 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -12.869 -6.154 -14.212 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -11.786 -5.841 -16.113 1.00 1.00 O ATOM 0 H GLU A 85 -12.545 -2.547 -12.599 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.066 -3.239 -11.344 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.022 -4.907 -13.120 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.618 -4.860 -12.397 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -12.354 -3.430 -14.375 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -10.801 -3.780 -15.109 1.00 1.00 H new ATOM 1331 N THR A 86 -8.636 -1.573 -12.119 1.00 1.00 N ATOM 1332 CA THR A 86 -7.454 -0.876 -12.518 1.00 1.00 C ATOM 1333 C THR A 86 -6.586 -0.560 -11.349 1.00 1.00 C ATOM 1334 O THR A 86 -7.022 0.114 -10.418 1.00 1.00 O ATOM 1335 CB THR A 86 -7.668 0.455 -13.177 1.00 1.00 C ATOM 1336 OG1 THR A 86 -8.598 0.396 -14.249 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.357 0.925 -13.831 1.00 1.00 C ATOM 0 H THR A 86 -8.790 -1.542 -11.111 1.00 1.00 H new ATOM 0 HA THR A 86 -7.013 -1.573 -13.230 1.00 1.00 H new ATOM 0 HB THR A 86 -8.029 1.117 -12.390 1.00 1.00 H new ATOM 0 HG1 THR A 86 -8.670 -0.528 -14.569 1.00 1.00 H new ATOM 0 HG21 THR A 86 -6.515 1.892 -14.309 1.00 1.00 H new ATOM 0 HG22 THR A 86 -5.583 1.019 -13.069 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.042 0.197 -14.579 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.308 -0.981 -11.373 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.299 -0.727 -10.392 1.00 1.00 C ATOM 1347 C PHE A 87 -4.072 0.703 -10.039 1.00 1.00 C ATOM 1348 O PHE A 87 -4.569 1.185 -9.023 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.045 -1.428 -10.944 1.00 1.00 C ATOM 1350 CG PHE A 87 -1.702 -1.197 -10.341 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.488 -0.921 -9.012 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.628 -1.282 -11.195 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.212 -0.699 -8.549 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.654 -1.097 -10.734 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.857 -0.799 -9.406 1.00 1.00 C ATOM 0 H PHE A 87 -4.953 -1.546 -12.144 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.612 -1.118 -9.424 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.234 -2.501 -10.898 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -2.970 -1.162 -11.998 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.324 -0.878 -8.329 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.793 -1.497 -12.240 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -0.050 -0.446 -7.512 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.494 -1.185 -11.408 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.860 -0.643 -9.036 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.290 1.454 -10.835 1.00 1.00 N ATOM 1366 CA TRP A 88 -2.848 2.768 -10.485 1.00 1.00 C ATOM 1367 C TRP A 88 -3.947 3.765 -10.356 1.00 1.00 C ATOM 1368 O TRP A 88 -3.916 4.655 -9.508 1.00 1.00 O ATOM 1369 CB TRP A 88 -1.786 3.348 -11.435 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.930 2.397 -12.238 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.277 1.681 -13.346 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.479 2.167 -12.036 1.00 1.00 C ATOM 1373 NE1 TRP A 88 -0.193 1.000 -13.833 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.897 1.294 -13.048 1.00 1.00 C ATOM 1375 CE3 TRP A 88 1.362 2.638 -11.105 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.201 0.890 -13.126 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.668 2.220 -11.189 1.00 1.00 C ATOM 1378 CH2 TRP A 88 3.080 1.356 -12.177 1.00 1.00 C ATOM 0 H TRP A 88 -2.956 1.139 -11.746 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.398 2.607 -9.506 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.296 4.006 -12.138 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.118 3.972 -10.841 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -2.266 1.655 -13.778 1.00 1.00 H new ATOM 0 HE1 TRP A 88 -0.194 0.379 -14.642 1.00 1.00 H new ATOM 0 HE3 TRP A 88 1.043 3.317 -10.328 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.531 0.224 -13.910 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 3.386 2.577 -10.465 1.00 1.00 H new ATOM 0 HH2 TRP A 88 4.112 1.038 -12.208 1.00 1.00 H new ATOM 1389 N ASP A 89 -4.988 3.635 -11.197 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.173 4.434 -11.169 1.00 1.00 C ATOM 1391 C ASP A 89 -7.038 4.221 -9.974 1.00 1.00 C ATOM 1392 O ASP A 89 -7.668 5.161 -9.491 1.00 1.00 O ATOM 1393 CB ASP A 89 -6.989 4.198 -12.451 1.00 1.00 C ATOM 1394 CG ASP A 89 -6.260 4.687 -13.694 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -5.195 4.128 -14.067 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -6.796 5.624 -14.345 1.00 1.00 O ATOM 0 H ASP A 89 -5.003 2.933 -11.937 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.832 5.468 -11.107 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.204 3.134 -12.553 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.948 4.710 -12.369 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.120 3.007 -9.400 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.828 2.816 -8.173 1.00 1.00 C ATOM 1403 C LEU A 90 -7.080 3.415 -7.032 1.00 1.00 C ATOM 1404 O LEU A 90 -7.628 4.115 -6.182 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.085 1.337 -7.834 1.00 1.00 C ATOM 1406 CG LEU A 90 -8.919 1.121 -6.560 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.324 1.741 -6.661 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.043 -0.369 -6.194 1.00 1.00 C ATOM 0 H LEU A 90 -6.698 2.161 -9.784 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.789 3.308 -8.321 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.596 0.866 -8.674 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.127 0.830 -7.719 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.374 1.634 -5.767 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -10.869 1.559 -5.735 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.237 2.815 -6.826 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -10.862 1.289 -7.494 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.640 -0.473 -5.288 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.526 -0.905 -7.011 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.050 -0.786 -6.024 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.758 3.167 -7.013 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.792 3.763 -6.144 1.00 1.00 C ATOM 1422 C LEU A 91 -4.830 5.252 -6.143 1.00 1.00 C ATOM 1423 O LEU A 91 -4.813 5.879 -5.086 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.392 3.224 -6.483 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.239 3.698 -5.582 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.232 2.557 -5.354 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.501 4.912 -6.168 1.00 1.00 C ATOM 0 H LEU A 91 -5.334 2.498 -7.655 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.050 3.477 -5.124 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.428 2.135 -6.448 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.159 3.502 -7.511 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.685 3.999 -4.634 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.422 2.909 -4.715 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.735 1.718 -4.874 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -0.824 2.235 -6.312 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.696 5.208 -5.495 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.083 4.649 -7.140 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -2.199 5.741 -6.285 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.957 5.880 -7.327 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.247 7.265 -7.528 1.00 1.00 C ATOM 1441 C GLU A 92 -6.468 7.706 -6.794 1.00 1.00 C ATOM 1442 O GLU A 92 -6.378 8.566 -5.920 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.414 7.650 -9.007 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.514 9.159 -9.235 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.473 9.583 -10.338 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.334 9.195 -11.529 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -7.386 10.389 -10.014 1.00 1.00 O ATOM 0 H GLU A 92 -4.848 5.379 -8.209 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.371 7.777 -7.130 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.569 7.260 -9.574 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.310 7.171 -9.400 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.825 9.632 -8.303 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.521 9.542 -9.471 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.641 7.116 -7.083 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.901 7.465 -6.502 1.00 1.00 C ATOM 1456 C GLN A 93 -8.904 7.489 -5.011 1.00 1.00 C ATOM 1457 O GLN A 93 -9.315 8.465 -4.385 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.978 6.505 -7.033 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.411 6.948 -6.733 1.00 1.00 C ATOM 1460 CD GLN A 93 -12.444 6.089 -7.449 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -13.174 5.296 -6.858 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.532 6.263 -8.795 1.00 1.00 N ATOM 0 H GLN A 93 -7.715 6.355 -7.758 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.115 8.491 -6.801 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.859 6.403 -8.112 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.816 5.518 -6.600 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.586 6.902 -5.658 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -11.537 7.989 -7.032 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -11.916 6.927 -9.265 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -13.214 5.730 -9.335 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.365 6.422 -4.396 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.083 6.259 -3.005 1.00 1.00 C ATOM 1473 C ALA A 94 -7.207 7.293 -2.387 1.00 1.00 C ATOM 1474 O ALA A 94 -7.532 7.947 -1.396 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.370 4.900 -2.893 1.00 1.00 C ATOM 0 H ALA A 94 -8.102 5.593 -4.928 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.028 6.342 -2.468 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.121 4.705 -1.850 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.027 4.113 -3.263 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.456 4.919 -3.487 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.984 7.479 -2.918 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.013 8.351 -2.333 1.00 1.00 C ATOM 1483 C ALA A 95 -5.331 9.791 -2.536 1.00 1.00 C ATOM 1484 O ALA A 95 -5.174 10.600 -1.623 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.617 7.975 -2.857 1.00 1.00 C ATOM 0 H ALA A 95 -5.664 7.015 -3.769 1.00 1.00 H new ATOM 0 HA ALA A 95 -5.032 8.213 -1.252 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.872 8.636 -2.415 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.393 6.943 -2.587 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.596 8.079 -3.942 1.00 1.00 H new ATOM 1491 N THR A 96 -5.879 10.169 -3.704 1.00 1.00 N ATOM 1492 CA THR A 96 -6.410 11.467 -3.982 1.00 1.00 C ATOM 1493 C THR A 96 -7.565 11.811 -3.106 1.00 1.00 C ATOM 1494 O THR A 96 -7.643 12.938 -2.621 1.00 1.00 O ATOM 1495 CB THR A 96 -6.788 11.664 -5.421 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.613 11.892 -6.183 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.710 12.862 -5.705 1.00 1.00 C ATOM 0 H THR A 96 -5.956 9.533 -4.498 1.00 1.00 H new ATOM 0 HA THR A 96 -5.590 12.150 -3.761 1.00 1.00 H new ATOM 0 HB THR A 96 -7.328 10.756 -5.688 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.221 12.754 -5.930 1.00 1.00 H new ATOM 0 HG21 THR A 96 -7.921 12.913 -6.773 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.644 12.741 -5.156 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.219 13.782 -5.388 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.485 10.876 -2.808 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.579 11.170 -1.937 1.00 1.00 C ATOM 1507 C GLN A 97 -9.178 11.417 -0.522 1.00 1.00 C ATOM 1508 O GLN A 97 -9.806 12.216 0.170 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.756 10.182 -1.976 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.549 8.798 -1.354 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.763 7.881 -1.385 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -11.746 6.800 -0.800 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -12.850 8.287 -2.093 1.00 1.00 N ATOM 0 H GLN A 97 -8.471 9.922 -3.168 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.946 12.103 -2.366 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.603 10.651 -1.475 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -11.040 10.041 -3.019 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -9.728 8.304 -1.874 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -10.238 8.927 -0.317 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -12.840 9.189 -2.570 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.675 7.690 -2.147 1.00 1.00 H new ATOM 1522 N GLN A 98 -8.095 10.776 -0.046 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.508 11.132 1.208 1.00 1.00 C ATOM 1524 C GLN A 98 -6.736 12.408 1.198 1.00 1.00 C ATOM 1525 O GLN A 98 -6.915 13.253 2.073 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.675 9.956 1.744 1.00 1.00 C ATOM 1527 CG GLN A 98 -7.542 8.861 2.370 1.00 1.00 C ATOM 1528 CD GLN A 98 -7.961 9.196 3.794 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -7.255 8.856 4.743 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -9.141 9.845 3.976 1.00 1.00 N ATOM 0 H GLN A 98 -7.626 10.011 -0.530 1.00 1.00 H new ATOM 0 HA GLN A 98 -8.334 11.334 1.890 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -6.088 9.530 0.930 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -5.968 10.325 2.487 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -8.432 8.711 1.758 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -6.992 7.920 2.368 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -9.705 10.114 3.170 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -9.463 10.063 4.919 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.848 12.635 0.214 1.00 1.00 N ATOM 1540 CA ALA A 99 -5.010 13.791 0.156 1.00 1.00 C ATOM 1541 C ALA A 99 -5.689 15.071 -0.188 1.00 1.00 C ATOM 1542 O ALA A 99 -5.407 16.113 0.404 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.872 13.523 -0.845 1.00 1.00 C ATOM 0 H ALA A 99 -5.709 11.993 -0.566 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.644 13.940 1.172 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.223 14.397 -0.901 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.292 12.661 -0.515 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.294 13.321 -1.830 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.607 15.060 -1.169 1.00 1.00 N ATOM 1550 CA GLY A 100 -7.307 16.209 -1.652 1.00 1.00 C ATOM 1551 C GLY A 100 -6.635 16.860 -2.811 1.00 1.00 C ATOM 1552 O GLY A 100 -6.755 18.067 -3.020 1.00 1.00 O ATOM 0 H GLY A 100 -6.876 14.203 -1.652 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -8.316 15.916 -1.942 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.405 16.933 -0.843 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.900 16.076 -3.620 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.045 16.598 -4.641 1.00 1.00 C ATOM 1558 C GLU A 101 -4.595 15.506 -5.549 1.00 1.00 C ATOM 1559 O GLU A 101 -4.822 14.329 -5.280 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.813 17.302 -4.045 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.961 16.409 -3.142 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.792 17.156 -2.515 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.719 17.259 -3.168 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.906 17.587 -1.337 1.00 1.00 O ATOM 0 H GLU A 101 -5.900 15.058 -3.564 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.623 17.331 -5.204 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.192 17.676 -4.859 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.144 18.169 -3.473 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -3.587 15.994 -2.353 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.581 15.569 -3.723 1.00 1.00 H new ATOM 1571 N THR A 102 -3.923 15.841 -6.666 1.00 1.00 N ATOM 1572 CA THR A 102 -3.371 14.898 -7.589 1.00 1.00 C ATOM 1573 C THR A 102 -2.244 14.140 -6.974 1.00 1.00 C ATOM 1574 O THR A 102 -1.259 14.714 -6.513 1.00 1.00 O ATOM 1575 CB THR A 102 -2.846 15.502 -8.859 1.00 1.00 C ATOM 1576 OG1 THR A 102 -3.790 16.396 -9.429 1.00 1.00 O ATOM 1577 CG2 THR A 102 -2.534 14.425 -9.913 1.00 1.00 C ATOM 0 H THR A 102 -3.758 16.810 -6.937 1.00 1.00 H new ATOM 0 HA THR A 102 -4.213 14.251 -7.837 1.00 1.00 H new ATOM 0 HB THR A 102 -1.933 16.033 -8.589 1.00 1.00 H new ATOM 0 HG1 THR A 102 -3.423 16.777 -10.254 1.00 1.00 H new ATOM 0 HG21 THR A 102 -2.156 14.900 -10.818 1.00 1.00 H new ATOM 0 HG22 THR A 102 -1.782 13.740 -9.522 1.00 1.00 H new ATOM 0 HG23 THR A 102 -3.443 13.870 -10.147 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.355 12.801 -6.919 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.388 11.919 -6.345 1.00 1.00 C ATOM 1587 C VAL A 103 -0.554 11.369 -7.450 1.00 1.00 C ATOM 1588 O VAL A 103 -0.909 11.452 -8.626 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.096 10.895 -5.508 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -2.849 9.864 -6.366 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.149 10.221 -4.501 1.00 1.00 C ATOM 0 H VAL A 103 -3.164 12.308 -7.296 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.703 12.425 -5.664 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.848 11.430 -4.929 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -3.346 9.143 -5.716 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -3.593 10.374 -6.978 1.00 1.00 H new ATOM 0 HG13 VAL A 103 -2.143 9.343 -7.012 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.703 9.487 -3.916 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.342 9.723 -5.038 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -0.730 10.975 -3.834 1.00 1.00 H new ATOM 1601 N SER A 104 0.644 10.851 -7.122 1.00 1.00 N ATOM 1602 CA SER A 104 1.676 10.556 -8.065 1.00 1.00 C ATOM 1603 C SER A 104 1.880 9.092 -8.262 1.00 1.00 C ATOM 1604 O SER A 104 2.408 8.393 -7.399 1.00 1.00 O ATOM 1605 CB SER A 104 2.970 11.227 -7.573 1.00 1.00 C ATOM 1606 OG SER A 104 4.017 11.236 -8.532 1.00 1.00 O ATOM 0 H SER A 104 0.903 10.629 -6.161 1.00 1.00 H new ATOM 0 HA SER A 104 1.382 10.946 -9.040 1.00 1.00 H new ATOM 0 HB2 SER A 104 2.747 12.254 -7.284 1.00 1.00 H new ATOM 0 HB3 SER A 104 3.316 10.712 -6.677 1.00 1.00 H new ATOM 0 HG SER A 104 4.795 10.762 -8.171 1.00 1.00 H new ATOM 1612 N PHE A 105 1.462 8.549 -9.419 1.00 1.00 N ATOM 1613 CA PHE A 105 1.440 7.145 -9.695 1.00 1.00 C ATOM 1614 C PHE A 105 1.889 6.815 -11.076 1.00 1.00 C ATOM 1615 O PHE A 105 2.591 5.825 -11.278 1.00 1.00 O ATOM 1616 CB PHE A 105 0.053 6.567 -9.369 1.00 1.00 C ATOM 1617 CG PHE A 105 -1.015 7.261 -10.143 1.00 1.00 C ATOM 1618 CD1 PHE A 105 -1.515 8.474 -9.733 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -1.349 6.797 -11.394 1.00 1.00 C ATOM 1620 CE1 PHE A 105 -2.255 9.252 -10.591 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -2.110 7.556 -12.251 1.00 1.00 C ATOM 1622 CZ PHE A 105 -2.571 8.787 -11.847 1.00 1.00 C ATOM 0 H PHE A 105 1.124 9.114 -10.198 1.00 1.00 H new ATOM 0 HA PHE A 105 2.170 6.666 -9.043 1.00 1.00 H new ATOM 0 HB2 PHE A 105 0.037 5.501 -9.597 1.00 1.00 H new ATOM 0 HB3 PHE A 105 -0.144 6.667 -8.302 1.00 1.00 H new ATOM 0 HD1 PHE A 105 -1.325 8.819 -8.727 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -1.008 5.821 -11.708 1.00 1.00 H new ATOM 0 HE1 PHE A 105 -2.589 10.230 -10.279 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -2.345 7.187 -13.238 1.00 1.00 H new ATOM 0 HZ PHE A 105 -3.177 9.385 -12.511 1.00 1.00 H new ATOM 1632 N ARG A 106 1.542 7.638 -12.083 1.00 1.00 N ATOM 1633 CA ARG A 106 1.943 7.476 -13.446 1.00 1.00 C ATOM 1634 C ARG A 106 2.224 8.833 -14.071 1.00 1.00 C ATOM 1635 O ARG A 106 1.369 9.754 -13.990 1.00 1.00 O ATOM 1636 CB ARG A 106 0.917 6.752 -14.333 1.00 1.00 C ATOM 1637 CG ARG A 106 0.738 5.260 -14.042 1.00 1.00 C ATOM 1638 CD ARG A 106 0.907 4.311 -15.231 1.00 1.00 C ATOM 1639 NE ARG A 106 -0.303 4.372 -16.096 1.00 1.00 N ATOM 1640 CZ ARG A 106 -0.602 3.417 -17.024 1.00 1.00 C ATOM 1641 NH1 ARG A 106 0.154 2.291 -17.174 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -1.692 3.562 -17.834 1.00 1.00 N ATOM 1643 OXT ARG A 106 3.296 8.988 -14.717 1.00 1.00 O ATOM 0 H ARG A 106 0.952 8.457 -11.938 1.00 1.00 H new ATOM 0 HA ARG A 106 2.835 6.851 -13.405 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -0.048 7.246 -14.221 1.00 1.00 H new ATOM 0 HB3 ARG A 106 1.215 6.869 -15.375 1.00 1.00 H new ATOM 0 HG2 ARG A 106 1.454 4.974 -13.272 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -0.257 5.110 -13.624 1.00 1.00 H new ATOM 0 HD2 ARG A 106 1.791 4.586 -15.806 1.00 1.00 H new ATOM 0 HD3 ARG A 106 1.062 3.292 -14.876 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.938 5.164 -15.990 1.00 1.00 H new ATOM 0 HH11 ARG A 106 0.971 2.143 -16.582 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -0.098 1.597 -17.878 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -2.286 4.386 -17.747 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -1.912 2.846 -18.526 1.00 1.00 H new TER 1657 ARG A 106